 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_150_STD_B3LYPDBJ-def2SVPDr.in
 Output=23_tartaric_acid_150_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/23_tartaric_acid_150_STD/Gau-29336.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/23_tartaric_acid_150_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29338.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=23_tartaric_acid_150_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_150_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.596150000000     -0.609276000000     -0.011079000000
  O                                                 1.257326000000     -1.762731000000      0.145721000000
  O                                                 2.831361000000     -0.202064000000      0.214747000000
  C                                                 0.617545000000      0.467428000000     -0.461680000000
  C                                                -0.633255000000      0.485066000000      0.462956000000
  C                                                -1.719874000000     -0.496691000000     -0.007213000000
  O                                                -2.823722000000     -0.072777000000     -0.249294000000
  O                                                 1.278067000000      1.713093000000     -0.432141000000
  O                                                -1.162976000000      1.785444000000      0.460059000000
  O                                                -1.391913000000     -1.767297000000     -0.127310000000
  H                                                 0.312245000000      0.226360000000     -1.487600000000
  H                                                -0.333287000000      0.217346000000      1.482353000000
  H                                                -0.419035000000     -1.910789000000      0.023248000000
  H                                                 2.849430000000      0.766125000000      0.077766000000
  H                                                 0.603319000000      2.381880000000     -0.229208000000
  H                                                -2.081215000000      1.690573000000      0.141279000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257326   -1.762731    0.145721
      3          8           0        2.831361   -0.202064    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072777   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391913   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419035   -1.910789    0.023248
     14          1           0        2.849430    0.766125    0.077766
     15          1           0        0.603319    2.381880   -0.229208
     16          1           0       -2.081215    1.690573    0.141279
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.212372   0.000000
     3  O    1.320063   2.217664   0.000000
     4  C    1.523155   2.398305   2.409721   0.000000
     5  C    2.528347   2.954239   3.540808   1.555559   0.000000
     6  C    3.317937   3.238822   4.566159   2.568967   1.538066
     7  O    4.458682   4.434742   5.675563   3.489878   2.369944
     8  O    2.381568   3.523593   2.549316   1.410264   2.441803
     9  O    3.683671   4.306532   4.468232   2.399380   1.404135
    10  O    3.206718   2.663275   4.516968   3.023859   2.448901
    11  H    2.127631   2.741787   3.070420   1.097194   2.183018
    12  H    2.576115   2.870077   3.434782   2.178506   1.095822
    13  H    2.399184   1.687337   3.677157   2.639237   2.445272
    14  H    1.862883   2.989068   0.977998   2.315498   3.515176
    15  H    3.159163   4.212612   3.440644   1.928567   2.367722
    16  H    4.339992   4.803247   5.265062   3.023731   1.911364
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.206974   0.000000
     8  O    3.748514   4.477437   0.000000
     9  O    2.395124   2.591186   2.599990   0.000000
    10  O    1.317733   2.221791   4.397139   3.608238   0.000000
    11  H    2.616076   3.384845   2.063294   2.898344   2.954524
    12  H    2.156682   3.047136   2.915306   2.047535   2.765956
    13  H    1.921662   3.038929   4.027413   3.795575   0.994861
    14  H    4.741357   5.744160   1.904189   4.157471   4.944621
    15  H    3.705763   4.215490   0.971464   1.987617   4.605106
    16  H    2.221878   1.952759   3.407946   0.976619   3.536120
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.039311   0.000000
    13  H    2.717506   2.581724   0.000000
    14  H    3.029691   3.521890   4.225128   0.000000
    15  H    2.512875   2.914083   4.419949   2.783866   0.000000
    16  H    3.244352   2.650307   3.968196   5.016961   2.796764
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.81D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257327   -1.762731    0.145721
      3          8           0        2.831361   -0.202063    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072778   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391912   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419034   -1.910789    0.023248
     14          1           0        2.849430    0.766126    0.077766
     15          1           0        0.603318    2.381880   -0.229208
     16          1           0       -2.081215    1.690572    0.141279
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0846324           1.0823921           0.7513491
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       582.5656445576 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0254798199 Hartrees.
 Nuclear repulsion after empirical dispersion term =      582.5401647376 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               6.2 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  3.56D-05  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               8.7 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_150_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:10 2021, MaxMem=  5637144576 cpu:              17.2 elap:               2.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636975936 LenY=  5636893699
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.025356255976    
 DIIS: error= 3.12D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.025356255976     IErMin= 1 ErrMin= 3.12D-03
 ErrMax= 3.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-02 BMatP= 1.49D-02
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.12D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.266 Goal=   None    Shift=    0.000
 GapD=    0.266 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.60D-03 MaxDP=1.27D-01              OVMax= 1.77D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.59D-03    CP:  1.01D+00
 E= -607.037754681810     Delta-E=       -0.012398425834 Rises=F Damp=F
 DIIS: error= 9.39D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.037754681810     IErMin= 2 ErrMin= 9.39D-04
 ErrMax= 9.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-03 BMatP= 1.49D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.39D-03
 Coeff-Com:  0.906D-01 0.909D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.898D-01 0.910D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=3.21D-04 MaxDP=1.06D-02 DE=-1.24D-02 OVMax= 7.11D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.00D-04    CP:  1.01D+00  1.02D+00
 E= -607.037510094954     Delta-E=        0.000244586856 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -607.037754681810     IErMin= 2 ErrMin= 9.39D-04
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.49D-03 BMatP= 1.05D-03
 IDIUse=3 WtCom= 2.26D-01 WtEn= 7.74D-01
 Coeff-Com: -0.151D-01 0.548D+00 0.467D+00
 Coeff-En:   0.000D+00 0.561D+00 0.439D+00
 Coeff:     -0.342D-02 0.558D+00 0.445D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.62D-04 MaxDP=6.93D-03 DE= 2.45D-04 OVMax= 4.86D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.49D-05    CP:  1.01D+00  1.03D+00  6.02D-01
 E= -607.038513690655     Delta-E=       -0.001003595702 Rises=F Damp=F
 DIIS: error= 2.61D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.038513690655     IErMin= 4 ErrMin= 2.61D-04
 ErrMax= 2.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-05 BMatP= 1.05D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.61D-03
 Coeff-Com: -0.122D-01 0.284D+00 0.257D+00 0.471D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.122D-01 0.283D+00 0.257D+00 0.472D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=4.37D-05 MaxDP=2.13D-03 DE=-1.00D-03 OVMax= 1.23D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.33D-05    CP:  1.01D+00  1.03D+00  6.25D-01  7.56D-01
 E= -607.038546463579     Delta-E=       -0.000032772924 Rises=F Damp=F
 DIIS: error= 4.79D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.038546463579     IErMin= 5 ErrMin= 4.79D-05
 ErrMax= 4.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-06 BMatP= 3.82D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.558D-02 0.118D+00 0.109D+00 0.241D+00 0.537D+00
 Coeff:     -0.558D-02 0.118D+00 0.109D+00 0.241D+00 0.537D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=7.74D-06 MaxDP=4.16D-04 DE=-3.28D-05 OVMax= 7.05D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.54D-06    CP:  1.01D+00  1.03D+00  6.26D-01  7.68D-01  9.65D-01
 E= -607.038547306539     Delta-E=       -0.000000842959 Rises=F Damp=F
 DIIS: error= 2.88D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.038547306539     IErMin= 6 ErrMin= 2.88D-05
 ErrMax= 2.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.89D-07 BMatP= 1.76D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.243D-03-0.213D-02-0.148D-03 0.277D-01 0.398D+00 0.577D+00
 Coeff:     -0.243D-03-0.213D-02-0.148D-03 0.277D-01 0.398D+00 0.577D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=3.51D-06 MaxDP=1.53D-04 DE=-8.43D-07 OVMax= 2.71D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.88D-06    CP:  1.01D+00  1.03D+00  6.29D-01  7.78D-01  9.84D-01
                    CP:  6.65D-01
 E= -607.038547831832     Delta-E=       -0.000000525294 Rises=F Damp=F
 DIIS: error= 2.29D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.038547831832     IErMin= 7 ErrMin= 2.29D-06
 ErrMax= 2.29D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.51D-09 BMatP= 6.89D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.534D-04-0.395D-02-0.297D-02 0.356D-02 0.146D+00 0.231D+00
 Coeff-Com:  0.626D+00
 Coeff:      0.534D-04-0.395D-02-0.297D-02 0.356D-02 0.146D+00 0.231D+00
 Coeff:      0.626D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=8.46D-07 MaxDP=2.82D-05 DE=-5.25D-07 OVMax= 2.08D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.43D-07    CP:  1.01D+00  1.03D+00  6.30D-01  7.79D-01  9.94D-01
                    CP:  6.57D-01  8.22D-01
 E= -607.038547837125     Delta-E=       -0.000000005293 Rises=F Damp=F
 DIIS: error= 1.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.038547837125     IErMin= 8 ErrMin= 1.14D-06
 ErrMax= 1.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-09 BMatP= 7.51D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.539D-04-0.184D-02-0.156D-02-0.144D-02 0.354D-01 0.611D-01
 Coeff-Com:  0.356D+00 0.552D+00
 Coeff:      0.539D-04-0.184D-02-0.156D-02-0.144D-02 0.354D-01 0.611D-01
 Coeff:      0.356D+00 0.552D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=2.38D-07 MaxDP=6.46D-06 DE=-5.29D-09 OVMax= 7.51D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.80D-07    CP:  1.01D+00  1.03D+00  6.30D-01  7.78D-01  9.94D-01
                    CP:  6.60D-01  8.46D-01  7.80D-01
 E= -607.038547838570     Delta-E=       -0.000000001445 Rises=F Damp=F
 DIIS: error= 4.72D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.038547838570     IErMin= 9 ErrMin= 4.72D-07
 ErrMax= 4.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-10 BMatP= 1.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.273D-04-0.785D-03-0.696D-03-0.118D-02 0.993D-02 0.185D-01
 Coeff-Com:  0.157D+00 0.306D+00 0.512D+00
 Coeff:      0.273D-04-0.785D-03-0.696D-03-0.118D-02 0.993D-02 0.185D-01
 Coeff:      0.157D+00 0.306D+00 0.512D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=6.69D-08 MaxDP=2.68D-06 DE=-1.44D-09 OVMax= 2.97D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.62D-08    CP:  1.01D+00  1.03D+00  6.30D-01  7.78D-01  9.95D-01
                    CP:  6.61D-01  8.54D-01  7.75D-01  8.44D-01
 E= -607.038547838684     Delta-E=       -0.000000000113 Rises=F Damp=F
 DIIS: error= 2.12D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.038547838684     IErMin=10 ErrMin= 2.12D-07
 ErrMax= 2.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-11 BMatP= 1.50D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.586D-05-0.131D-03-0.129D-03-0.486D-03-0.169D-03 0.382D-03
 Coeff-Com:  0.352D-01 0.938D-01 0.305D+00 0.566D+00
 Coeff:      0.586D-05-0.131D-03-0.129D-03-0.486D-03-0.169D-03 0.382D-03
 Coeff:      0.352D-01 0.938D-01 0.305D+00 0.566D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=2.80D-08 MaxDP=1.21D-06 DE=-1.13D-10 OVMax= 1.50D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.86D-08    CP:  1.01D+00  1.03D+00  6.30D-01  7.78D-01  9.95D-01
                    CP:  6.61D-01  8.57D-01  7.80D-01  8.38D-01  6.70D-01
 E= -607.038547838710     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 6.03D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.038547838710     IErMin=11 ErrMin= 6.03D-08
 ErrMax= 6.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-12 BMatP= 2.30D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-05-0.147D-04-0.200D-04-0.207D-03-0.924D-03-0.137D-02
 Coeff-Com:  0.785D-02 0.307D-01 0.139D+00 0.363D+00 0.462D+00
 Coeff:      0.135D-05-0.147D-04-0.200D-04-0.207D-03-0.924D-03-0.137D-02
 Coeff:      0.785D-02 0.307D-01 0.139D+00 0.363D+00 0.462D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=8.59D-09 MaxDP=2.71D-07 DE=-2.64D-11 OVMax= 3.86D-07

 SCF Done:  E(RB3LYP) =  -607.038547839     A.U. after   11 cycles
            NFock= 11  Conv=0.86D-08     -V/T= 2.0088
 KE= 6.017593048852D+02 PE=-2.588345963935D+03 EE= 7.970079464734D+02
 Leave Link  502 at Fri Jul 16 13:11:32 2021, MaxMem=  5637144576 cpu:             652.1 elap:              81.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    266 NOA=    39 NOB=    39 NVA=   227 NVB=   227

 **** Warning!!: The largest alpha MO coefficient is  0.35290671D+02

 Leave Link  801 at Fri Jul 16 13:11:33 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4853 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.48D-13 8.33D-09 XBig12= 1.00D+00 3.43D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.48D-13 8.33D-09 XBig12= 3.98D-01 1.11D-01.
     11 vectors produced by pass  2 Test12= 1.48D-13 8.33D-09 XBig12= 8.64D-02 7.34D-02.
     11 vectors produced by pass  3 Test12= 1.48D-13 8.33D-09 XBig12= 9.84D-03 1.47D-02.
     11 vectors produced by pass  4 Test12= 1.48D-13 8.33D-09 XBig12= 6.18D-04 4.33D-03.
     11 vectors produced by pass  5 Test12= 1.48D-13 8.33D-09 XBig12= 1.78D-05 9.10D-04.
     11 vectors produced by pass  6 Test12= 1.48D-13 8.33D-09 XBig12= 2.63D-07 6.58D-05.
     11 vectors produced by pass  7 Test12= 1.48D-13 8.33D-09 XBig12= 4.96D-09 9.02D-06.
     11 vectors produced by pass  8 Test12= 1.48D-13 8.33D-09 XBig12= 5.23D-11 8.20D-07.
      8 vectors produced by pass  9 Test12= 1.48D-13 8.33D-09 XBig12= 4.80D-13 9.68D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.876191D+02
      2  0.404498D-01  0.784964D+02
      3  0.247819D+01 -0.490227D+00  0.536728D+02
 Isotropic polarizability for W=    0.088559       73.26 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.109539D+02  0.212700D+02 -0.436790D+01
      2   0.484496D+01 -0.120700D+02  0.361748D+01
      3   0.610893D+01 -0.920006D+01  0.750423D+00
      4   0.185187D+02 -0.298836D+01 -0.113106D+02
      5  -0.418642D+01 -0.915601D+01 -0.324243D+01
      6  -0.799898D+01  0.615185D+00  0.848827D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.443222D+01 -0.826190D+00 -0.508104D+01
      2  -0.167839D+01 -0.504819D+01 -0.331171D+01
      3  -0.139552D+02 -0.106455D+01  0.123258D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.215463D+01 -0.300229D+01 -0.176883D+02
      2  -0.181486D+00 -0.331167D+01 -0.935136D+01
      3  -0.275137D+01  0.783332D+01  0.115704D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.136914D+01  0.228174D+00  0.220411D+01
      2   0.228174D+00  0.200449D+01  0.904308D+00
      3   0.220411D+01  0.904308D+00 -0.187242D-01
 OR G Eigenvalues:    -3.0249     0.9353     2.7063  Iso=    -0.2055
 Eigenvectors:
   (1)   0.793802   0.072559  -0.603833
   (2)  -0.511898   0.615813  -0.598945
   (3)   0.328390   0.784544   0.525976
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2055 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -69.44 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 3.40D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.42D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.46D-14 2.78D-09 XBig12= 1.00D+00 4.56D-01.
     30 vectors produced by pass  1 Test12= 2.46D-14 2.78D-09 XBig12= 5.22D-02 8.11D-02.
     30 vectors produced by pass  2 Test12= 2.46D-14 2.78D-09 XBig12= 1.21D-03 7.16D-03.
     30 vectors produced by pass  3 Test12= 2.46D-14 2.78D-09 XBig12= 1.93D-05 6.52D-04.
     30 vectors produced by pass  4 Test12= 2.46D-14 2.78D-09 XBig12= 1.75D-07 7.58D-05.
     30 vectors produced by pass  5 Test12= 2.46D-14 2.78D-09 XBig12= 5.69D-10 4.09D-06.
     30 vectors produced by pass  6 Test12= 2.46D-14 2.78D-09 XBig12= 1.44D-12 1.14D-07.
      1 vectors produced by pass  7 Test12= 2.46D-14 2.78D-09 XBig12= 2.31D-15 4.53D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 1.02D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 1.02D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.27D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.876191D+02  0.404498D-01  0.247819D+01
      2   0.404498D-01  0.784964D+02 -0.490227D+00
      3   0.247819D+01 -0.490227D+00  0.536728D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.443222D+01 -0.826190D+00 -0.508104D+01
      2  -0.167839D+01 -0.504819D+01 -0.331171D+01
      3  -0.139552D+02 -0.106455D+01  0.123258D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.109539D+02  0.212700D+02 -0.436790D+01
      2   0.484496D+01 -0.120700D+02  0.361748D+01
      3   0.610893D+01 -0.920006D+01  0.750423D+00
      4   0.185187D+02 -0.298836D+01 -0.113106D+02
      5  -0.418642D+01 -0.915601D+01 -0.324243D+01
      6  -0.799898D+01  0.615185D+00  0.848827D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.275678D+01 -0.843388D+00 -0.109125D+00  0.298473D+01  0.956302D+00
      2  -0.843388D+00  0.225247D+01 -0.300263D+00  0.956302D+00  0.552079D+01
      3  -0.109125D+00 -0.300263D+00  0.466796D+00 -0.281990D+00 -0.377112D+00
                 6             7             8             9            10 
      1  -0.281990D+00 -0.237461D+01  0.677184D+00  0.333553D+00 -0.238747D+01
      2  -0.377112D+00  0.677184D+00 -0.104795D+01 -0.147297D+00 -0.185928D+01
      3  -0.752797D-02  0.333553D+00 -0.147297D+00 -0.840295D+00  0.236168D+00
                11            12            13            14            15 
      1  -0.185928D+01  0.236168D+00 -0.610855D+01  0.181696D+00 -0.221865D-01
      2  -0.952795D+00  0.109539D+00  0.181696D+00 -0.119098D+02  0.677094D+00
      3   0.109539D+00 -0.490998D+00 -0.221865D-01  0.677094D+00 -0.198696D+01
                16            17            18            19            20 
      1   0.107784D+01 -0.374470D-01 -0.256908D+00  0.955396D+01  0.178727D+00
      2  -0.374470D-01  0.923752D+00 -0.262027D+01  0.178727D+00  0.605754D+00
      3  -0.256908D+00 -0.262027D+01  0.936893D+00  0.564442D+00  0.164900D+00
                21            22            23            24            25 
      1   0.564442D+00 -0.193140D+01  0.996726D+00 -0.178199D+00  0.212951D+01
      2   0.164900D+00  0.996726D+00 -0.348653D+01  0.696892D+00 -0.262103D+00
      3   0.116417D+01 -0.178199D+00  0.696892D+00 -0.133838D+00  0.230319D+01
                26            27            28            29            30 
      1  -0.262103D+00  0.230319D+01  0.613523D+01 -0.131863D+01 -0.595818D+00
      2   0.933023D+00  0.422272D+00 -0.131863D+01 -0.468627D+00  0.432930D+00
      3   0.422272D+00  0.971397D+00 -0.595818D+00  0.432930D+00  0.225744D+01
                31            32            33            34            35 
      1  -0.123228D+01 -0.186505D+01  0.100066D+01 -0.287909D+01  0.673062D+00
      2  -0.186505D+01 -0.140618D+01  0.380785D+00  0.673062D+00  0.206405D+00
      3   0.100066D+01  0.380785D+00  0.171789D+01  0.293898D+01  0.417062D+00
                36            37            38            39            40 
      1   0.293898D+01 -0.613288D+01  0.176703D+01  0.517035D+00 -0.276784D+00
      2   0.417062D+00  0.176703D+01  0.936846D+00  0.589091D+00  0.180472D+01
      3   0.500494D+01  0.517035D+00  0.589091D+00 -0.204764D+01  0.110861D+01
                41            42            43            44            45 
      1   0.180472D+01  0.110861D+01  0.304771D+01 -0.132217D+00 -0.287141D+01
      2  -0.140530D+00 -0.182536D+00 -0.132217D+00  0.381815D+00  0.127372D+01
      3  -0.182536D+00  0.182693D+01 -0.287141D+01  0.127372D+01 -0.482266D+01
                46            47            48            49            50 
      1   0.761011D+01 -0.223218D+01  0.918606D+00 -0.491352D+01 -0.122275D+01
      2  -0.223218D+01  0.127182D+01 -0.415735D-01 -0.122275D+01  0.439383D+00
      3   0.918606D+00 -0.415735D-01  0.702104D+00 -0.879457D+00 -0.191393D+00
                51            52            53            54            55 
      1  -0.879457D+00  0.182185D+01 -0.916139D-01  0.311780D+00 -0.152380D+02
      2  -0.191393D+00 -0.916139D-01  0.769693D+00 -0.761298D+00  0.174272D+01
      3  -0.124099D+01  0.311780D+00 -0.761298D+00  0.888839D+00 -0.129758D+01
                56            57            58            59            60 
      1   0.174272D+01 -0.129758D+01  0.275592D+01 -0.222850D+01  0.348346D+00
      2  -0.393181D+01  0.472307D-01 -0.222850D+01  0.224609D+01 -0.289805D+00
      3   0.472307D-01 -0.231236D+01  0.348346D+00 -0.289805D+00  0.102867D+01
                61            62            63            64            65 
      1  -0.228636D+01  0.159633D+00 -0.341284D+01  0.510265D+01  0.126175D+01
      2   0.159633D+00 -0.100250D+01  0.743122D+00  0.126175D+01  0.418663D+01
      3  -0.341284D+01  0.743122D+00 -0.169899D+01 -0.701210D+00 -0.546253D+00
                66            67            68            69            70 
      1  -0.701210D+00  0.168149D+00  0.289417D+01 -0.372724D+00 -0.686461D+00
      2  -0.546253D+00  0.289417D+01  0.254178D+01 -0.108324D+01 -0.318627D-01
      3   0.444174D+00 -0.372724D+00 -0.108324D+01 -0.259448D+00  0.727401D+00
                71            72            73            74            75 
      1  -0.318627D-01  0.727401D+00  0.270049D+01  0.113656D+01  0.657243D+00
      2  -0.118885D+01  0.125530D+01  0.113656D+01  0.204785D+01 -0.209161D+00
      3   0.125530D+01 -0.747213D+00  0.657243D+00 -0.209161D+00  0.941073D+00
                76            77            78            79            80 
      1   0.162374D+01 -0.786998D+00 -0.753281D+00  0.142672D+01 -0.494947D+00
      2  -0.786998D+00  0.609787D+01  0.134321D+01 -0.494947D+00  0.195686D+01
      3  -0.753281D+00  0.134321D+01  0.508987D+00 -0.367332D+00  0.158262D+01
                81            82            83            84            85 
      1  -0.367332D+00 -0.832458D+01 -0.133036D+01 -0.720326D+00  0.112589D+01
      2   0.158262D+01 -0.133036D+01 -0.162851D+01 -0.674962D-01 -0.618280D+00
      3   0.115914D+01 -0.720326D+00 -0.674962D-01 -0.222271D+00  0.423511D+00
                86            87            88            89            90 
      1  -0.618280D+00  0.423511D+00 -0.134007D+01  0.589507D-01 -0.214059D-02
      2  -0.746224D+01 -0.286860D+00  0.589507D-01 -0.798468D+00 -0.195120D+01
      3  -0.286860D+00 -0.972910D+00 -0.214059D-02 -0.195120D+01 -0.501643D+00
                91            92            93            94            95 
      1  -0.204179D+01 -0.235802D+00 -0.119222D+01 -0.371855D+00  0.178565D+00
      2  -0.235802D+00 -0.357871D+00 -0.115122D+00  0.178565D+00 -0.519426D+00
      3  -0.119222D+01 -0.115122D+00 -0.171908D+01 -0.325531D+00 -0.125667D+01
                96            97            98            99           100 
      1  -0.325531D+00 -0.150942D+01 -0.410157D+00 -0.113192D+01  0.206836D+01
      2  -0.125667D+01 -0.410157D+00 -0.177492D+01 -0.555471D+00 -0.515308D+00
      3  -0.105167D+01 -0.113192D+01 -0.555471D+00 -0.758279D+01  0.121999D+01
               101           102           103           104           105 
      1  -0.515308D+00  0.121999D+01 -0.633397D+00 -0.149671D+00 -0.308278D+00
      2   0.101821D+00 -0.189916D+00 -0.149671D+00 -0.574999D+00  0.124357D+01
      3  -0.189916D+00  0.166449D+01 -0.308278D+00  0.124357D+01 -0.115353D+01
               106           107           108           109           110 
      1   0.152337D+01 -0.248843D+00  0.139217D+01  0.910406D+01 -0.568133D+00
      2  -0.248843D+00  0.159726D+01 -0.791512D+00 -0.568133D+00  0.143709D+01
      3   0.139217D+01 -0.791512D+00  0.748093D+01  0.455813D+00  0.201113D+00
               111           112           113           114           115 
      1   0.455813D+00 -0.614799D+00  0.371603D+00 -0.399872D-01  0.131015D+01
      2   0.201113D+00  0.371603D+00 -0.190894D+01  0.503605D-01 -0.104693D+00
      3   0.377084D+00 -0.399872D-01  0.503605D-01 -0.567528D+00  0.191044D-01
               116           117           118           119           120 
      1  -0.104693D+00  0.191044D-01  0.178462D+01  0.135512D+01 -0.132775D+00
      2   0.305337D+00 -0.567317D+00  0.135512D+01  0.716963D+00  0.116506D+00
      3  -0.567317D+00  0.785627D-01 -0.132775D+00  0.116506D+00  0.625427D+00
               121           122           123           124           125 
      1   0.403731D+01  0.118312D+01  0.499163D+00 -0.403375D+00  0.111459D+00
      2   0.118312D+01  0.467382D+01 -0.354482D+00  0.111459D+00 -0.415662D+00
      3   0.499163D+00 -0.354482D+00  0.803058D+00  0.652110D+00  0.475878D+00
               126           127           128           129           130 
      1   0.652110D+00 -0.233192D+01  0.548759D+00  0.602041D+00  0.236917D+01
      2   0.475878D+00  0.548759D+00 -0.244818D+01  0.107006D+00 -0.678994D+00
      3   0.111351D+00  0.602041D+00  0.107006D+00 -0.518421D+00 -0.286409D+00
               131           132           133           134           135 
      1  -0.678994D+00 -0.286409D+00  0.724821D+00 -0.442345D-01 -0.478041D-01
      2   0.553167D+01 -0.491178D-01 -0.442345D-01  0.568971D+00  0.817416D+00
      3  -0.491178D-01  0.116995D+01 -0.478041D-01  0.817416D+00 -0.256076D-01
               136           137           138           139           140 
      1  -0.484601D+01  0.912436D+00 -0.422279D+00  0.101767D+01 -0.101666D+01
      2   0.912436D+00 -0.376945D+01 -0.298531D+00 -0.101666D+01  0.357278D+00
      3  -0.422279D+00 -0.298531D+00 -0.133198D+01  0.677542D-01 -0.320694D+00
               141           142           143           144 
      1   0.677542D-01 -0.158260D+01  0.177830D+00 -0.587938D+00
      2  -0.320694D+00  0.177830D+00 -0.141477D+01  0.406978D+00
      3   0.318904D+00 -0.587938D+00  0.406978D+00 -0.412854D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142800D-01 -0.179094D+01  0.121832D+01 -0.377594D+01  0.262591D+01
      2   0.348365D+01 -0.311760D+01 -0.462219D+01 -0.498715D+01  0.405737D+00
      3   0.452978D+00 -0.401672D+01  0.239449D+01 -0.706810D+01 -0.682409D+01
                 6             7             8             9            10 
      1   0.802087D+01 -0.317279D+00  0.955587D+01 -0.284548D+01  0.293633D+00
      2   0.138609D+00 -0.141399D+02  0.221480D+01 -0.465691D+01 -0.304695D+00
      3   0.203905D+01  0.499522D+01  0.307338D+01 -0.139112D+01  0.605939D+01
                11            12            13            14            15 
      1   0.345067D+00 -0.500770D+00 -0.512230D-01  0.416037D+00 -0.107062D+02
      2   0.677087D+00  0.321101D+01  0.804861D+00  0.969631D+00 -0.179876D+01
      3  -0.128876D+01 -0.109253D+01  0.178568D+02  0.180851D+02 -0.119674D+01
                16            17            18            19            20 
      1   0.138172D+01 -0.461708D+00  0.227498D+01  0.731520D+00  0.610541D+00
      2  -0.237777D+01 -0.537118D+01  0.215665D+01  0.973351D+00  0.671478D+00
      3  -0.290667D+01 -0.132442D+01  0.524508D+01 -0.293554D+01 -0.897032D+01
                21            22            23            24            25 
      1  -0.496553D+00  0.847148D+00 -0.178251D+01 -0.209768D+01  0.180422D+01
      2   0.884322D+01  0.101163D+01  0.208495D+01 -0.148277D+01  0.517692D+01
      3  -0.729700D+00 -0.252856D+00  0.152417D+02 -0.287872D+01 -0.125556D+01
                26            27            28            29            30 
      1   0.175685D+01  0.417171D+00  0.523994D+00  0.108022D+01  0.194105D+01
      2  -0.153609D+01  0.364680D+01 -0.311452D+01  0.958404D+00  0.368167D+01
      3  -0.443908D+01 -0.171956D+01  0.802431D+00 -0.366686D+01  0.249219D-01
                31            32            33            34            35 
      1   0.335251D+01  0.259863D+00 -0.228991D+01 -0.228808D+01  0.265289D+01
      2   0.296976D+01 -0.364081D+00 -0.185955D+01 -0.318876D+01  0.991736D+00
      3   0.478253D+01  0.202513D+01 -0.113585D+01 -0.150814D+01 -0.369068D+00
                36            37            38            39            40 
      1  -0.174230D+01 -0.876663D+00  0.221091D+01 -0.161595D+01  0.104840D+01
      2   0.373474D+01 -0.171805D+01 -0.664340D+00  0.306394D+01 -0.251543D+01
      3  -0.146845D+00  0.965494D+00 -0.162341D+01 -0.237785D+00  0.622741D+01
                41            42            43            44            45 
      1  -0.102119D+00 -0.190985D+01  0.150006D+01  0.213905D+01  0.241784D+01
      2  -0.884551D+00  0.115620D+01 -0.379913D+01 -0.217591D+01  0.337354D+01
      3   0.720052D+00  0.613887D+00  0.249263D+01 -0.991080D+00  0.685602D+00
                46            47            48            49            50 
      1   0.511644D+00 -0.514596D+01 -0.187240D+01 -0.412823D+01 -0.283662D+01
      2   0.380924D+01  0.280572D+01 -0.860346D+01  0.482073D+01  0.196328D+01
      3  -0.494891D+01  0.886703D+01 -0.115637D+01  0.287345D+01 -0.398073D+01
                51            52            53            54            55 
      1   0.572896D+01  0.209913D+01  0.127657D+02  0.235987D+01 -0.130974D+01
      2   0.246298D+01 -0.138716D+02 -0.232269D+01 -0.553875D+01  0.636500D+00
      3   0.185676D+01 -0.240799D+01  0.608591D+01 -0.851119D+00  0.934549D+01
                56            57            58            59            60 
      1   0.237790D+01  0.833798D+00  0.126062D+01 -0.416970D+00 -0.357617D+01
      2  -0.591134D+00  0.138731D+02 -0.152165D+01 -0.136235D+00 -0.223869D+01
      3  -0.210465D+02  0.615148D+00 -0.245759D+01  0.991841D+01 -0.806455D+00
                61            62            63            64            65 
      1  -0.271201D+01  0.154031D+01 -0.938230D+00  0.194208D+01 -0.212573D+01
      2   0.517946D+01  0.830843D+00  0.529924D+01  0.171638D+01 -0.571255D-01
      3   0.102941D+01 -0.476909D+01  0.344522D+01  0.138699D+02 -0.100725D+02
                66            67            68            69            70 
      1  -0.319440D+01 -0.270288D+01 -0.659758D+00 -0.338864D+01 -0.145291D+01
      2   0.376683D+01 -0.191950D+00 -0.305729D+00  0.200165D+01 -0.192974D+01
      3  -0.186967D+01 -0.372473D+01  0.201527D+01  0.201925D+01 -0.371278D+01
                71            72            73            74            75 
      1   0.323064D+01  0.100555D+01 -0.129248D+01 -0.756612D+00 -0.736115D+00
      2   0.120021D+01 -0.106868D+01 -0.178143D+01 -0.172217D+01  0.125038D+01
      3   0.180975D+01  0.139012D+00  0.126603D+02  0.731388D+01  0.286791D+01
                76            77            78            79            80 
      1  -0.998719D-01  0.288433D+01 -0.581437D+01 -0.109247D+00  0.139177D+01
      2  -0.596088D+00 -0.706062D+00 -0.217825D+01 -0.326655D+01 -0.262856D+00
      3   0.841646D+01  0.758121D+01  0.221862D+00  0.490959D+01  0.370843D+01
                81            82            83            84            85 
      1  -0.174046D+01 -0.154437D+01  0.131728D+01 -0.762625D+00  0.231106D+00
      2  -0.175287D+01 -0.148786D-01 -0.928406D-01  0.367524D+01 -0.127679D+01
      3   0.178514D+01  0.239932D+02 -0.650369D+01  0.167257D+01  0.446752D+01
                86            87            88            89            90 
      1  -0.321398D+00 -0.760809D+01 -0.202461D+01 -0.239461D+01 -0.176810D+01
      2   0.129610D+00  0.239912D+00 -0.972683D+00  0.419944D+01  0.136977D+01
      3  -0.854261D+01 -0.895157D+00  0.481581D+01 -0.223081D+01 -0.331437D+01
                91            92            93            94            95 
      1   0.987200D+00  0.959722D+00  0.674328D+00  0.924290D+00  0.769575D+00
      2  -0.223320D+01 -0.556108D+00 -0.601828D+00 -0.139805D+01 -0.123758D+01
      3  -0.607211D+00 -0.197801D+00 -0.266414D+00  0.105316D+01  0.210840D+00
                96            97            98            99           100 
      1   0.647489D+00  0.632987D+00  0.338442D+01  0.225392D+01 -0.994638D+00
      2  -0.642740D+00 -0.343466D+01 -0.290305D+00 -0.445522D+01 -0.205053D+01
      3   0.817839D+00 -0.241319D+00  0.501527D+00 -0.264902D+00  0.140422D+00
               101           102           103           104           105 
      1   0.775148D+00 -0.804613D+00  0.757445D+00 -0.132328D+01  0.586232D+00
      2   0.448793D+00 -0.527694D+00  0.138732D+01 -0.855617D+00  0.626557D+00
      3  -0.790728D+00  0.287498D+00  0.891716D+00 -0.779371D+00  0.738281D+00
               106           107           108           109           110 
      1  -0.916124D+00  0.310983D+01 -0.278278D+01  0.135213D+01 -0.540967D+00
      2  -0.384915D+01  0.804058D+00 -0.426666D+01  0.302354D+00 -0.243667D+00
      3  -0.266599D+00  0.278484D+00 -0.239356D+00 -0.291683D+02  0.774385D+01
               111           112           113           114           115 
      1   0.114373D+01 -0.540151D+00  0.721715D-01 -0.623376D+00  0.534438D+00
      2  -0.292146D+01  0.122731D-01 -0.604575D-01  0.355217D+00 -0.288578D+01
      3  -0.132866D+01  0.470588D+01 -0.237675D+01  0.175953D+00 -0.407763D+01
               116           117           118           119           120 
      1   0.431185D+00  0.292979D+00  0.501852D+00 -0.439731D+00 -0.830524D+00
      2   0.391519D+00 -0.214932D+00 -0.225922D+00 -0.464456D-01  0.717426D+00
      3   0.116304D+01 -0.302545D+00 -0.474962D+01 -0.675147D+00 -0.586877D+00
               121           122           123           124           125 
      1  -0.369505D-01  0.221887D+01 -0.423367D+00  0.896707D-01  0.102347D+01
      2   0.829464D+00 -0.175637D+01  0.338257D+01  0.222789D+00  0.204937D+01
      3  -0.113837D+01 -0.211061D+02  0.221975D+01 -0.127786D+00  0.266772D+01
               126           127           128           129           130 
      1  -0.276687D+00 -0.315518D+01  0.146401D+01  0.194122D+01  0.148832D+01
      2  -0.397563D+00 -0.107194D+01  0.264755D+00 -0.731068D+00  0.618746D+00
      3  -0.123961D+01 -0.122286D+02  0.555968D+01  0.281642D+01  0.969770D+01
               131           132           133           134           135 
      1  -0.238090D+01 -0.299577D+01  0.357282D+00 -0.135230D+01 -0.627116D+00
      2  -0.349417D+00  0.732596D+00 -0.120996D+01  0.551941D+00  0.806479D+00
      3  -0.919392D+01 -0.121936D+01  0.378587D+01 -0.162971D+01 -0.107288D+01
               136           137           138           139           140 
      1   0.231474D+01 -0.340844D+00  0.306149D+01  0.187138D+00  0.821968D+00
      2   0.283196D+01  0.102001D+01  0.276148D+01  0.323341D-01  0.110290D+01
      3  -0.136722D+02 -0.987978D+01 -0.316579D+01 -0.252187D+01 -0.297374D+01
               141           142           143           144 
      1  -0.386728D+00  0.144151D+01  0.474460D+00  0.145370D+01
      2  -0.895532D+00  0.537352D+00 -0.129530D+01  0.725402D+00
      3  -0.133138D+01 -0.552403D+01 -0.353497D+01 -0.757763D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.223291D+02  0.120163D+01 -0.108869D+01 -0.166981D+01  0.232252D+02
      2   0.133991D+02 -0.435754D+01  0.240205D+01  0.149339D+01 -0.301612D+02
      3   0.893000D+01  0.315592D+01 -0.131336D+01  0.176422D+00  0.693601D+01
      4  -0.657823D+01  0.132511D+01 -0.119068D+01 -0.505513D+01  0.100159D+02
      5  -0.250948D+01 -0.231710D+01 -0.755579D+01  0.157194D+00  0.438613D+00
      6   0.405361D+00 -0.134551D+00 -0.474145D+01  0.609188D-01  0.158625D+01
                 6             7             8             9            10 
      1  -0.291066D+01 -0.971381D+01 -0.532618D+01 -0.293255D+01 -0.183797D+01
      2   0.168272D+00  0.687162D+01  0.416797D+01 -0.625164D+01  0.566962D+01
      3   0.274239D+01  0.284218D+01  0.115822D+01  0.918419D+01 -0.383165D+01
      4  -0.107543D+01  0.535306D+00 -0.180182D+01 -0.101697D+01 -0.401501D+01
      5  -0.215592D+01  0.297566D+01  0.110170D+01 -0.499650D+01  0.320048D-01
      6  -0.891874D+01 -0.652036D+00  0.208918D+01  0.362021D+01 -0.974676D+00
                11            12            13            14            15 
      1  -0.841421D+01  0.815788D+00 -0.136133D+02 -0.350386D+02  0.119158D+01
      2   0.715506D+01 -0.861715D+00  0.754122D+01  0.531821D+02 -0.876938D+00
      3   0.125915D+01  0.459274D-01  0.607206D+01 -0.181435D+02 -0.314645D+00
      4   0.153813D+02 -0.688134D+00  0.158202D+02 -0.287484D+02  0.143369D+01
      5  -0.124242D+00  0.510395D+01 -0.164343D+01 -0.140205D+00 -0.410393D+01
      6  -0.520675D+00  0.142964D+01 -0.889072D+00 -0.272936D+01  0.155806D+02
                16            17            18            19            20 
      1   0.300258D+01  0.377522D+01 -0.960430D+01  0.670018D+02  0.137429D+01
      2  -0.249733D+01 -0.268891D+01  0.686888D+01 -0.402363D+02 -0.657196D+00
      3  -0.505257D+00 -0.108631D+01  0.273542D+01 -0.267654D+02 -0.717092D+00
      4  -0.118260D+01  0.154604D+01 -0.759599D+01  0.774053D+00  0.100165D+02
      5   0.379605D+01 -0.851950D+01  0.248593D+01  0.478927D+01  0.161748D+01
      6   0.310000D+00  0.138248D+02 -0.411261D+01  0.847264D+00  0.475905D+00
                21            22            23            24            25 
      1   0.293989D+01 -0.829825D+01  0.395795D+01 -0.503394D+00  0.809402D+01
      2  -0.267093D+01  0.411373D+01 -0.654857D+00  0.861896D+00 -0.725357D+01
      3  -0.268965D+00  0.418453D+01 -0.330310D+01 -0.358502D+00 -0.840457D+00
      4   0.121350D+01  0.115101D+02 -0.161404D+02  0.336078D+01  0.190408D+01
      5   0.169579D+02 -0.325552D+00  0.344337D+01 -0.679737D+00  0.195094D+02
      6   0.131246D+01  0.689960D-01  0.113369D+00  0.418791D+01 -0.138348D+01
                26            27            28            29            30 
      1   0.143616D+01  0.101021D+02  0.644434D+00  0.522961D+01  0.162368D+01
      2  -0.541344D-01 -0.112132D+02  0.166853D+01 -0.565528D+01  0.405402D+01
      3  -0.138202D+01  0.111114D+01 -0.231297D+01  0.425672D+00 -0.567770D+01
      4   0.363028D+01 -0.500290D+00 -0.320200D+01 -0.271392D+01  0.127386D+00
      5   0.126455D+01  0.746036D+01 -0.114083D+01  0.185720D+01  0.581418D+00
      6   0.371461D+01 -0.263938D+00 -0.124782D+01  0.161709D+01 -0.351877D+01
                31            32            33            34            35 
      1   0.852986D+00 -0.575201D+00  0.391033D+01  0.269651D+01  0.246982D+01
      2   0.761413D+00 -0.218913D+01  0.329856D+01  0.332774D+01 -0.726764D+00
      3  -0.161440D+01  0.276433D+01 -0.720889D+01 -0.602425D+01 -0.174305D+01
      4  -0.914617D+01 -0.861830D+01  0.241166D+01 -0.161905D+01  0.321337D+01
      5   0.132969D+01  0.153378D+01 -0.365735D+01  0.177010D+01  0.184872D+01
      6   0.198096D+01  0.190321D+01 -0.459505D+01  0.329946D+01  0.111194D+01
                36            37            38            39            40 
      1   0.868776D+01  0.180734D+01 -0.638813D+01  0.276246D+01  0.377861D+00
      2   0.800832D+01 -0.135662D+01  0.461818D+01  0.212110D+01 -0.267398D+01
      3  -0.166961D+02 -0.450721D+00  0.176995D+01 -0.488356D+01  0.229612D+01
      4   0.510465D+01  0.104583D+01 -0.314534D+01 -0.376204D+00 -0.821867D+01
      5   0.854078D+00 -0.115460D+00 -0.133334D+01 -0.188168D+00 -0.100276D+01
      6  -0.108068D+01  0.106249D+01  0.572682D+00  0.436621D+01  0.325906D+01
                41            42            43            44            45 
      1  -0.273995D-01 -0.367742D+01  0.530248D+01 -0.307454D+01  0.886718D+01
      2  -0.314920D+01 -0.326171D+01  0.243281D+01 -0.108858D+01  0.667000D+01
      3   0.317660D+01  0.693913D+01 -0.773529D+01  0.416312D+01 -0.155372D+02
      4   0.234923D+01  0.280316D+01 -0.187406D+00  0.201988D+01 -0.595416D+01
      5   0.440327D+00  0.358261D+01  0.126372D+01 -0.234761D+01  0.760920D+00
      6  -0.209726D+01 -0.465741D+01 -0.329607D+01  0.163519D+01  0.802325D+00
                46            47            48            49            50 
      1  -0.474169D+02  0.305894D+01 -0.330781D+01  0.205821D+02  0.159288D+02
      2   0.310113D+02  0.183395D+01  0.534912D+01 -0.130246D+02 -0.194267D+02
      3   0.164055D+02 -0.489289D+01 -0.204131D+01 -0.755752D+01  0.349787D+01
      4   0.836294D+01 -0.119841D+02  0.221109D+00  0.360667D+01  0.273158D+01
      5  -0.600772D+01  0.129870D+01 -0.131780D+02  0.338982D+01  0.133613D+01
      6   0.300357D+00 -0.341239D+00  0.463243D+01  0.188461D+01 -0.237788D+00
                51            52            53            54            55 
      1   0.429985D+01 -0.115052D+02  0.482043D+01 -0.713517D+01  0.972453D+02
      2  -0.142709D+01  0.861567D+01 -0.238366D+01 -0.223263D+01 -0.584678D+02
      3  -0.287277D+01  0.288956D+01 -0.243677D+01  0.936781D+01 -0.387775D+02
      4   0.118036D+01  0.205046D+01 -0.386312D+01  0.256952D+01 -0.510876D+01
      5   0.632814D+01  0.110737D+01  0.114816D+01 -0.716044D+01  0.932332D+01
      6  -0.776313D+01  0.733496D-02  0.260062D+01 -0.227280D+01 -0.106002D+01
                56            57            58            59            60 
      1  -0.929671D+01  0.564986D+01 -0.125454D+02  0.793236D+01 -0.180966D+01
      2   0.650676D+01 -0.546799D+01  0.900004D+01 -0.105814D+01  0.143340D+01
      3   0.278995D+01 -0.181872D+00  0.354538D+01 -0.687422D+01  0.376261D+00
      4   0.247479D+02 -0.469048D+00  0.183861D+02 -0.766797D+01  0.226511D+01
      5  -0.135919D+01  0.239923D+02 -0.228132D+01  0.223074D+01 -0.527339D+01
      6   0.141043D+01 -0.152665D+01  0.107946D+01  0.850556D-02  0.564413D+01
                61            62            63            64            65 
      1   0.101252D+02 -0.243281D+01  0.148652D+02  0.138645D+02 -0.100912D+02
      2  -0.938666D+01  0.153660D+01 -0.146066D+02 -0.641271D+01  0.176819D+02
      3  -0.738507D+00  0.896209D+00 -0.258604D+00 -0.745179D+01 -0.759075D+01
      4  -0.264296D+01  0.495843D+01 -0.159047D+01  0.165090D+02  0.150265D+02
      5   0.254785D+02 -0.312090D+01  0.117091D+02 -0.267807D+01 -0.157667D+01
      6   0.165441D+01  0.428649D+01  0.298915D+00 -0.326222D+01 -0.374481D+01
                66            67            68            69            70 
      1   0.572463D+00 -0.575286D+01 -0.215240D+01  0.122509D+01 -0.586874D+00
      2  -0.114484D+01  0.893568D+01  0.841320D+01 -0.341725D+01  0.157480D+01
      3   0.572378D+00 -0.318282D+01 -0.626080D+01  0.219216D+01 -0.987926D+00
      4  -0.314570D+01  0.144354D+02  0.189304D+02 -0.217425D+01 -0.170488D+01
      5   0.738603D+01 -0.108753D+01 -0.428533D+01  0.397169D+01  0.548949D+01
      6   0.509317D+01 -0.188357D+01 -0.514803D+01  0.971734D+01  0.352573D+01
                71            72            73            74            75 
      1   0.494526D+01 -0.428848D+01 -0.359065D+01 -0.251596D+01 -0.266033D+01
      2  -0.340215D+01 -0.690216D+00  0.310084D+01  0.206441D+01  0.139360D-01
      3  -0.154311D+01  0.497870D+01  0.489809D+00  0.451549D+00  0.264640D+01
      4  -0.278356D+01  0.467672D+01  0.396723D+01 -0.789086D+00  0.204899D+01
      5   0.305370D+01 -0.342717D+01 -0.227412D+01 -0.548754D-02  0.492355D+01
      6   0.764409D+01 -0.401724D+01  0.332921D+01 -0.101789D+01 -0.117666D+00
                76            77            78            79            80 
      1  -0.206047D+01 -0.184548D+02 -0.211394D+01 -0.190091D+01 -0.555287D+01
      2  -0.556197D+00  0.286955D+02  0.300763D+01  0.129070D+01  0.454340D+01
      3   0.261667D+01 -0.102407D+02 -0.893695D+00  0.610212D+00  0.100947D+01
      4   0.131776D+02 -0.189415D+02 -0.465446D+01  0.501602D+01 -0.615581D+01
      5   0.189380D+01 -0.389146D+01 -0.538760D+01  0.442156D+01 -0.322628D+01
      6  -0.350808D+01  0.763230D+01  0.121814D+02 -0.171406D+01  0.886373D+01
                81            82            83            84            85 
      1  -0.688660D+01  0.113847D+02  0.383911D+01  0.154180D+01 -0.341480D+01
      2   0.168310D+01 -0.341751D+01 -0.134838D+01 -0.148135D+01  0.328238D+01
      3   0.520350D+01 -0.796718D+01 -0.249072D+01 -0.604485D-01  0.132424D+00
      4  -0.336538D+01  0.201838D+02  0.206144D+02  0.144431D+01  0.802319D+01
      5  -0.406621D+01  0.115653D+01  0.266095D+00  0.695516D+01 -0.930392D+00
      6   0.564401D+01  0.313445D+01 -0.393665D+00  0.211928D+00 -0.205638D+01
                86            87            88            89            90 
      1  -0.249669D+02 -0.203331D+01  0.157721D+01 -0.292200D+01 -0.748829D+01
      2   0.388385D+02  0.129181D+01 -0.159863D+01  0.193270D+01  0.452038D+01
      3  -0.138716D+02  0.741503D+00  0.214207D-01  0.989303D+00  0.296791D+01
      4   0.196008D+02 -0.385910D+00  0.230499D+01  0.201793D+01  0.666289D+01
      5  -0.883304D+00  0.127675D+01  0.428777D+01  0.668770D+01  0.152555D+01
      6   0.108006D+01  0.132247D+02  0.734481D-01  0.121989D+02  0.270654D+01
                91            92            93            94            95 
      1  -0.195020D+01 -0.882484D+00 -0.323567D+01 -0.177654D+01 -0.278588D+01
      2  -0.365691D+01 -0.368319D+00 -0.229198D+01 -0.453160D+00 -0.101066D+01
      3   0.560711D+01  0.125080D+01  0.552765D+01  0.222970D+01  0.379655D+01
      4  -0.100029D+01  0.113777D+01 -0.812008D+00  0.240002D+01 -0.439132D+00
      5   0.171128D+01  0.204697D+00  0.492411D+01  0.408619D+00 -0.251378D+00
      6   0.318452D+00  0.747672D+00 -0.139868D+00  0.771506D+00  0.128876D+01
                96            97            98            99           100 
      1  -0.215341D+01 -0.332327D+01 -0.525628D+00 -0.184061D+02 -0.245010D+01
      2  -0.295796D+01 -0.303403D+01 -0.263618D+01 -0.155331D+02 -0.298248D+01
      3   0.511136D+01  0.635730D+01  0.316181D+01  0.339392D+02  0.543257D+01
      4  -0.994152D+00 -0.395736D+00 -0.273473D+01 -0.128572D+01  0.133506D+01
      5  -0.751341D-01  0.439409D+01 -0.181184D+00 -0.226528D+01  0.164260D+01
      6   0.578652D+01 -0.171421D+00  0.451231D+01 -0.727084D+00 -0.232470D+00
               101           102           103           104           105 
      1   0.137297D+01 -0.344017D+01  0.214233D+01 -0.251117D+01  0.247824D+01
      2   0.172447D+00 -0.196398D+01  0.371191D+00 -0.134341D+01  0.288155D+01
      3  -0.154542D+01  0.540415D+01 -0.251352D+01  0.385458D+01 -0.535978D+01
      4   0.188409D+01  0.813749D+00  0.237032D+01  0.105552D+01 -0.125497D+01
      5  -0.343530D+00  0.503218D+01 -0.581500D+00 -0.848385D-01  0.253739D+00
      6   0.840375D+00 -0.306684D-01  0.848780D+00 -0.160415D+01  0.559976D+01
               106           107           108           109           110 
      1  -0.505299D+01  0.122795D+01 -0.188769D+02 -0.122561D+02  0.390746D+01
      2  -0.263299D+01  0.302706D+01 -0.142901D+02  0.612974D+01 -0.501139D+01
      3   0.768597D+01 -0.425501D+01  0.331670D+02  0.612639D+01  0.110392D+01
      4   0.822633D+00 -0.240683D+01  0.201188D+01 -0.163451D+02 -0.127098D+02
      5   0.419927D+01  0.109009D+00 -0.199546D+01 -0.106754D+01  0.902971D-01
      6   0.629433D+00  0.448598D+01  0.809820D+00 -0.255301D+01 -0.552061D+00
               111           112           113           114           115 
      1  -0.267969D-01  0.194643D+01 -0.639834D+01  0.726312D-01 -0.114933D+01
      2   0.755475D-01 -0.177674D+01  0.871088D+01 -0.200509D+00  0.580879D+00
      3  -0.487506D-01 -0.169690D+00 -0.231254D+01  0.127878D+00  0.568448D+00
      4  -0.973847D+00  0.106178D+01  0.191268D+01  0.119785D+00 -0.217850D+01
      5  -0.513435D+01  0.106546D+00 -0.294592D+00  0.625852D+00  0.263824D+00
      6  -0.140431D+01  0.989665D-01 -0.149598D+00  0.188616D+01 -0.353174D+00
               116           117           118           119           120 
      1   0.580330D+00 -0.249471D+01  0.780038D+01  0.661250D+01 -0.502299D+00
      2  -0.846259D+00  0.962332D+00 -0.290304D+01 -0.267469D+01  0.795999D+00
      3   0.265929D+00  0.153238D+01 -0.489734D+01 -0.393781D+01 -0.293700D+00
      4  -0.147732D+01  0.273121D+00  0.770235D+01  0.555589D+01 -0.253115D-01
      5   0.667398D+00 -0.363663D+00 -0.863071D+00  0.924529D-01  0.206988D+01
      6   0.285816D+01 -0.394357D+00 -0.349872D+00  0.237895D+00  0.116969D+01
               121           122           123           124           125 
      1   0.211443D+02  0.399829D+01  0.174054D+01 -0.286421D+01 -0.101541D+00
      2  -0.116703D+02 -0.606725D+00 -0.185598D+01  0.178273D+01 -0.414436D-01
      3  -0.947404D+01 -0.339156D+01  0.115438D+00  0.108148D+01  0.142984D+00
      4   0.857819D+01  0.233553D+02 -0.998288D+00  0.250662D+00 -0.170511D+01
      5   0.228039D+01 -0.139897D+01  0.514626D+01  0.401654D+01  0.301477D+01
      6   0.135850D+01  0.927447D+00  0.343977D+00  0.761041D+00  0.174460D+01
               126           127           128           129           130 
      1   0.137764D+01 -0.505769D+01  0.851544D+01 -0.116888D+01  0.613915D+01
      2  -0.135729D+01  0.440912D+01 -0.118173D+02 -0.310060D+00 -0.562760D+01
      3  -0.203468D-01  0.648568D+00  0.330186D+01  0.147894D+01 -0.511549D+00
      4   0.312971D+01 -0.580799D+01 -0.990947D+00  0.154214D+01  0.476591D+01
      5  -0.158623D+00  0.121409D+01 -0.701086D+00 -0.139775D+01 -0.111708D+01
      6   0.541174D+00  0.159212D+01  0.254015D+01 -0.187215D+01 -0.733529D+00
               131           132           133           134           135 
      1  -0.180096D+02  0.275120D+00  0.224402D+01 -0.195510D+01 -0.279572D+01
      2   0.270762D+02  0.659028D+00 -0.133450D+01  0.308501D+01  0.292613D+01
      3  -0.906656D+01 -0.934149D+00 -0.909519D+00 -0.112992D+01 -0.130415D+00
      4   0.447522D+01 -0.840737D+00  0.138562D+01  0.158784D+01  0.782015D-01
      5   0.600894D+00  0.184100D+01  0.951955D+00  0.681175D+00  0.131943D+01
      6  -0.196878D+01  0.457171D+01 -0.391454D+00  0.451900D+01  0.849136D-01
               136           137           138           139           140 
      1   0.139657D+02  0.253064D+01  0.282897D+01 -0.408069D+01  0.354675D+01
      2  -0.436758D+01 -0.816958D+01 -0.271055D+00  0.337418D+00 -0.654454D+00
      3  -0.959812D+01  0.563895D+01 -0.255791D+01  0.374327D+01 -0.289230D+01
      4  -0.177825D+02  0.151403D+02 -0.220466D+00  0.590360D+01 -0.383049D+01
      5  -0.734609D+00  0.184350D+01  0.320035D+01 -0.596480D+00  0.120624D+01
      6  -0.130963D+01 -0.173731D+01 -0.486398D+01  0.137047D+00 -0.109517D+01
               141           142           143           144 
      1   0.335218D+00  0.140250D+01  0.296232D+01  0.122703D+01
      2  -0.258347D+00 -0.391377D+00 -0.409784D+01 -0.124617D+01
      3  -0.768708D-01 -0.101112D+01  0.113552D+01  0.191343D-01
      4   0.128185D+01 -0.435864D+01  0.395452D+01 -0.319771D+01
      5  -0.169298D+01  0.369386D+01 -0.214096D+01  0.796151D+00
      6   0.882895D+00 -0.225872D+01  0.240681D+01 -0.212942D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:26:57 2021, MaxMem=  5637144576 cpu:            7336.3 elap:             923.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.23223 -19.20488 -19.20038 -19.18833 -19.18395
 Alpha  occ. eigenvalues --  -19.16290 -10.37153 -10.35201 -10.30475 -10.29885
 Alpha  occ. eigenvalues --   -1.15298  -1.12734  -1.08838  -1.06699  -1.05969
 Alpha  occ. eigenvalues --   -1.03466  -0.81020  -0.71670  -0.66696  -0.63911
 Alpha  occ. eigenvalues --   -0.61354  -0.59420  -0.57463  -0.53392  -0.51301
 Alpha  occ. eigenvalues --   -0.50543  -0.48254  -0.46995  -0.46232  -0.45802
 Alpha  occ. eigenvalues --   -0.43265  -0.42054  -0.38715  -0.37797  -0.36349
 Alpha  occ. eigenvalues --   -0.35237  -0.33346  -0.32501  -0.31717
 Alpha virt. eigenvalues --   -0.05198  -0.03100  -0.01179   0.01459   0.02052
 Alpha virt. eigenvalues --    0.02412   0.05911   0.06258   0.06796   0.07989
 Alpha virt. eigenvalues --    0.08202   0.08974   0.10258   0.10821   0.11657
 Alpha virt. eigenvalues --    0.11972   0.13076   0.13730   0.14184   0.14719
 Alpha virt. eigenvalues --    0.15173   0.15631   0.16475   0.18661   0.18836
 Alpha virt. eigenvalues --    0.19349   0.19545   0.19962   0.20483   0.22556
 Alpha virt. eigenvalues --    0.23445   0.24481   0.24886   0.25298   0.25761
 Alpha virt. eigenvalues --    0.26478   0.27051   0.27501   0.28439   0.29173
 Alpha virt. eigenvalues --    0.30519   0.30854   0.31234   0.31779   0.33589
 Alpha virt. eigenvalues --    0.33904   0.34264   0.34771   0.35446   0.35682
 Alpha virt. eigenvalues --    0.36315   0.36660   0.38039   0.38791   0.40334
 Alpha virt. eigenvalues --    0.41460   0.42366   0.42487   0.43498   0.44187
 Alpha virt. eigenvalues --    0.44964   0.45472   0.45702   0.46384   0.46883
 Alpha virt. eigenvalues --    0.48773   0.48988   0.49191   0.50138   0.51145
 Alpha virt. eigenvalues --    0.52466   0.53509   0.54200   0.54406   0.55030
 Alpha virt. eigenvalues --    0.56026   0.57011   0.57295   0.57776   0.59014
 Alpha virt. eigenvalues --    0.59295   0.60490   0.61634   0.62776   0.63685
 Alpha virt. eigenvalues --    0.64076   0.64864   0.65386   0.65925   0.66613
 Alpha virt. eigenvalues --    0.66879   0.68528   0.68686   0.69362   0.69792
 Alpha virt. eigenvalues --    0.72140   0.72613   0.73805   0.74821   0.76650
 Alpha virt. eigenvalues --    0.76903   0.78656   0.79126   0.80013   0.81675
 Alpha virt. eigenvalues --    0.83355   0.84355   0.85499   0.86880   0.87867
 Alpha virt. eigenvalues --    0.90903   0.91473   0.93834   0.95390   0.97462
 Alpha virt. eigenvalues --    0.99561   1.00074   1.01189   1.02102   1.04819
 Alpha virt. eigenvalues --    1.05217   1.07421   1.08288   1.10830   1.11452
 Alpha virt. eigenvalues --    1.13534   1.16429   1.17683   1.20721   1.21815
 Alpha virt. eigenvalues --    1.23635   1.26948   1.29663   1.38337   1.39936
 Alpha virt. eigenvalues --    1.43832   1.45722   1.48388   1.49427   1.51847
 Alpha virt. eigenvalues --    1.52926   1.53368   1.56641   1.58045   1.59174
 Alpha virt. eigenvalues --    1.60985   1.65396   1.67347   1.68991   1.69763
 Alpha virt. eigenvalues --    1.71756   1.74860   1.75802   1.77300   1.79294
 Alpha virt. eigenvalues --    1.80943   1.82270   1.83326   1.85645   1.85950
 Alpha virt. eigenvalues --    1.88836   1.90164   1.90848   1.93706   1.95121
 Alpha virt. eigenvalues --    1.96106   1.97344   1.99067   2.00894   2.03325
 Alpha virt. eigenvalues --    2.05247   2.07043   2.08758   2.09118   2.12606
 Alpha virt. eigenvalues --    2.14048   2.16667   2.19717   2.20656   2.22685
 Alpha virt. eigenvalues --    2.27616   2.29324   2.29600   2.32252   2.33124
 Alpha virt. eigenvalues --    2.35632   2.38483   2.40039   2.41895   2.50234
 Alpha virt. eigenvalues --    2.50625   2.53108   2.56375   2.62585   2.76069
 Alpha virt. eigenvalues --    2.84145   2.85317   2.90339   2.91375   2.93998
 Alpha virt. eigenvalues --    2.94633   2.97095   2.98474   2.99442   3.03169
 Alpha virt. eigenvalues --    3.04074   3.05767   3.06093   3.08014   3.09723
 Alpha virt. eigenvalues --    3.12144   3.20992   3.21891   3.23630   3.25204
 Alpha virt. eigenvalues --    3.41839   3.45092   3.51089   3.54399   3.55163
 Alpha virt. eigenvalues --    3.60349   3.77922   3.79868   3.90933   3.93169
 Alpha virt. eigenvalues --    3.96335   4.00704
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.297773  -0.314484  -0.242852  -0.715931   0.017244   0.020589
     2  O   -0.314484   8.620791   0.142751   0.243355   0.006400  -0.018709
     3  O   -0.242852   0.142751   8.172279   0.117435  -0.012820  -0.010465
     4  C   -0.715931   0.243355   0.117435   5.561673   0.187674  -0.092960
     5  C    0.017244   0.006400  -0.012820   0.187674   5.315150  -0.381268
     6  C    0.020589  -0.018709  -0.010465  -0.092960  -0.381268   5.902894
     7  O   -0.002785   0.000840   0.000956  -0.001804   0.101494   0.043234
     8  O    0.110430  -0.015388  -0.057111  -0.033032  -0.073322   0.015088
     9  O   -0.012378   0.002147   0.007662  -0.060881   0.130586  -0.108771
    10  O   -0.007785  -0.058823   0.000334   0.009022   0.012355  -0.041069
    11  H    0.065415  -0.026207   0.006250   0.276645   0.070319  -0.096816
    12  H    0.003561  -0.000887  -0.015570   0.096518   0.275252  -0.059012
    13  H    0.068923  -0.063239  -0.017360  -0.022526  -0.012148   0.090287
    14  H    0.161076  -0.041737   0.165424  -0.044725   0.013565   0.001232
    15  H   -0.034046   0.005154   0.005879   0.067913  -0.004297   0.003740
    16  H   -0.003257   0.001572  -0.000412   0.017221   0.078789  -0.046599
               7          8          9         10         11         12
     1  C   -0.002785   0.110430  -0.012378  -0.007785   0.065415   0.003561
     2  O    0.000840  -0.015388   0.002147  -0.058823  -0.026207  -0.000887
     3  O    0.000956  -0.057111   0.007662   0.000334   0.006250  -0.015570
     4  C   -0.001804  -0.033032  -0.060881   0.009022   0.276645   0.096518
     5  C    0.101494  -0.073322   0.130586   0.012355   0.070319   0.275252
     6  C    0.043234   0.015088  -0.108771  -0.041069  -0.096816  -0.059012
     7  O    8.360973   0.003093  -0.036977   0.023929   0.006483   0.019991
     8  O    0.003093   8.236532   0.011018  -0.002465  -0.149994  -0.021333
     9  O   -0.036977   0.011018   8.305357  -0.001813  -0.025732  -0.144326
    10  O    0.023929  -0.002465  -0.001813   8.147834   0.023341  -0.009265
    11  H    0.006483  -0.149994  -0.025732   0.023341   0.972501   0.039573
    12  H    0.019991  -0.021333  -0.144326  -0.009265   0.039573   0.986131
    13  H   -0.009355   0.001084  -0.003469   0.249769   0.005286   0.006895
    14  H   -0.000259   0.026111  -0.005091   0.000240   0.015677   0.006505
    15  H    0.000388   0.265108   0.001567  -0.000175   0.020773   0.015362
    16  H    0.051299  -0.011924   0.238852  -0.002441   0.001413   0.020828
              13         14         15         16
     1  C    0.068923   0.161076  -0.034046  -0.003257
     2  O   -0.063239  -0.041737   0.005154   0.001572
     3  O   -0.017360   0.165424   0.005879  -0.000412
     4  C   -0.022526  -0.044725   0.067913   0.017221
     5  C   -0.012148   0.013565  -0.004297   0.078789
     6  C    0.090287   0.001232   0.003740  -0.046599
     7  O   -0.009355  -0.000259   0.000388   0.051299
     8  O    0.001084   0.026111   0.265108  -0.011924
     9  O   -0.003469  -0.005091   0.001567   0.238852
    10  O    0.249769   0.000240  -0.000175  -0.002441
    11  H    0.005286   0.015677   0.020773   0.001413
    12  H    0.006895   0.006505   0.015362   0.020828
    13  H    0.531586   0.002057  -0.000311   0.000592
    14  H    0.002057   0.555790   0.002571   0.000211
    15  H   -0.000311   0.002571   0.522413   0.000899
    16  H    0.000592   0.000211   0.000899   0.452648
 Mulliken charges:
               1
     1  C    0.588508
     2  O   -0.483535
     3  O   -0.262380
     4  C    0.394403
     5  C    0.275027
     6  C    0.778604
     7  O   -0.561501
     8  O   -0.303894
     9  O   -0.297751
    10  O   -0.342989
    11  H   -0.204924
    12  H   -0.220223
    13  H    0.171929
    14  H    0.141354
    15  H    0.127063
    16  H    0.200308
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.588508
     2  O   -0.483535
     3  O   -0.121026
     4  C    0.189479
     5  C    0.054804
     6  C    0.778604
     7  O   -0.561501
     8  O   -0.176831
     9  O   -0.097443
    10  O   -0.171060
 Electronic spatial extent (au):  <R**2>=           1427.6170
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0197    Y=              2.5951    Z=             -0.0275  Tot=              3.2885
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.7882   YY=            -62.2543   ZZ=            -56.2464
   XY=              1.1780   XZ=             -2.0503   YZ=             -0.5824
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.3586   YY=              0.1753   ZZ=              6.1832
   XY=              1.1780   XZ=             -2.0503   YZ=             -0.5824
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.7803  YYY=             16.2826  ZZZ=             -0.0505  XYY=             -1.6916
  XXY=             22.0109  XXZ=              3.1398  XZZ=              0.5667  YZZ=             -2.1164
  YYZ=             -2.0968  XYZ=              6.2843
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1143.9010 YYYY=           -540.4311 ZZZZ=            -98.5030 XXXY=             10.3052
 XXXZ=            -19.9471 YYYX=              2.0057 YYYZ=             -6.2496 ZZZX=              1.1672
 ZZZY=             -0.4883 XXYY=           -273.3872 XXZZ=           -194.5421 YYZZ=           -115.4964
 XXYZ=              3.1942 YYXZ=              4.2552 ZZXY=             -0.0185
 N-N= 5.825401647376D+02 E-N=-2.588345963465D+03  KE= 6.017593048852D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:26:57 2021, MaxMem=  5637144576 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.93647824D-01 1.05583078D+00-1.16623924D-02
 Polarizability= 8.08764244D+01 1.14712420D-02 7.21132048D+01
                 2.28734473D+00-4.23094189D-01 4.78161568D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.2383   -1.2391        0.0208    0.0202
 2      1.2383    1.2391        0.2452    0.2451       -4.5614   -4.5613
 3     -0.0208   -0.0202       16.9726   16.9731       -0.2452   -0.2451
 4     -0.2452   -0.2451        0.0000    0.0000       -0.0204   -0.0202
 5    -12.4112  -12.4118        0.0204    0.0202       -1.2390   -1.2391
 6      0.2452    0.2451        1.2390    1.2391       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.7173    3.7173        0.0607    0.0607
 2     -0.7353   -0.7353        0.0000    0.0000        0.0607    0.0607
 3     -0.7353   -0.7353        3.7173    3.7173        0.0000    0.0000
 4      3.7173    3.7173        0.7353    0.7353      -13.6840  -13.6840
 5     -0.0607   -0.0607       50.9194   50.9194       -0.7353   -0.7353
 6    -37.2355  -37.2355        0.0607    0.0607       -3.7173   -3.7173
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0353    0.0000        4.9432    4.9564       -0.0771   -0.0809
 2     -4.9129   -4.9564       -0.9666   -0.9805       18.3396   18.2453
 3      0.0794    0.0809      -67.9622  -67.8925        0.9989    0.9805
 4      0.9726    0.9805        0.0009    0.0000        0.0969    0.0809
 5     49.6227   49.6473       -0.1382   -0.0809        4.9644    4.9564
 6     -1.0005   -0.9805       -4.9634   -4.9564       -0.0124    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -18.9862  -19.0363        2.4910    2.5046
 2     19.0712   19.0363       -4.3022   -4.3763       19.0154   18.9608
 3     -2.5145   -2.5046       -6.4944   -6.3993        4.5641    4.3763
 4      4.3971    4.3763        0.1016    0.0000       -2.4886   -2.5046
 5    -12.5979  -12.5615        2.3864    2.5046      -19.0570  -19.0363
 6     -4.3885   -4.3763       18.9084   19.0363        0.0147    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.2461   -1.2640      -10.0812  -10.0304       -4.8126   -4.8016
 2      0.3054    0.2541      -30.3353  -30.4701       -4.8242   -4.8016
 3      0.3009    0.2541       -9.9699  -10.0304       -8.0264   -7.9854
 4     20.4762   20.4397       -1.4369   -1.5180       10.9475   10.9326
 5     -3.1833   -3.1838       -2.0569   -1.9952        1.6669    1.5180
 6     -9.0229   -8.9374        3.0451    3.1838      -20.4506  -20.4397
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.8870   -3.1437   -0.0005    0.0006    0.0007    1.1840
 Low frequencies ---   72.1256   87.7194  114.5635
 Diagonal vibrational polarizability:
       43.8185514      27.4081734      31.0639178
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     72.1253                87.7193               114.5634
 Red. masses --      9.0905                 9.3887                11.3872
 Frc consts  --      0.0279                 0.0426                 0.0881
 IR Inten    --      0.2035                 2.2821                 2.7739
 RamAct Fr= 1--      0.4173                 0.1101                 0.7627
  Dep-P Fr= 1--      0.7493                 0.5634                 0.7498
  Dep-U Fr= 1--      0.8567                 0.7208                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0596                 0.0132                 0.1089
 AlphaG Fr= 1--     -0.0001                -0.0002                -0.0004
 Gamma2 Fr= 1--     -0.0722                 0.0996                 0.3118
 Delta2 Fr= 1--     -0.0433                 0.0884                 0.2282
 Raman1 Fr= 1--       1.669                  0.440                  3.051
 ROA1   Fr= 1--      -8.315                 12.390                 37.235
 CID1   Fr= 1--      -4.981                 28.142                 12.205
 Raman2 Fr= 1--       0.715                  0.159                  1.307
 ROA2   Fr= 1--      -1.386                  1.684                  5.658
 CID2   Fr= 1--      -1.939                 10.613                  4.328
 Raman3 Fr= 1--       1.430                  0.317                  2.615
 ROA3   Fr= 1--      -8.315                 12.390                 37.235
 CID3   Fr= 1--      -5.815                 39.046                 14.242
 RC180  Fr= 1--       0.713                  0.442                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.07    -0.02  -0.00  -0.11
     2   8     0.04  -0.06  -0.29    -0.04  -0.02  -0.24     0.05  -0.05  -0.37
     3   8    -0.12   0.08   0.47     0.03  -0.12  -0.07    -0.09   0.07   0.18
     4   6     0.02  -0.03  -0.11     0.05   0.11   0.08    -0.03   0.01  -0.05
     5   6     0.05   0.02  -0.07    -0.04   0.11  -0.09     0.03  -0.02   0.06
     6   6    -0.00   0.00   0.06     0.00  -0.04   0.06     0.03   0.00   0.03
     7   8    -0.07  -0.02   0.34    -0.05  -0.13   0.11     0.16   0.08  -0.40
     8   8     0.02  -0.03  -0.18     0.15   0.06   0.39    -0.05   0.02  -0.07
     9   8     0.06   0.02  -0.11    -0.13   0.08  -0.39     0.03  -0.02   0.17
    10   8     0.02   0.03  -0.13     0.03  -0.04   0.22    -0.10  -0.08   0.50
    11   1     0.01  -0.09  -0.09     0.13   0.33   0.00    -0.10   0.02  -0.03
    12   1     0.09   0.06  -0.07    -0.12   0.31  -0.01     0.10  -0.05   0.02
    13   1     0.04   0.01  -0.29     0.07   0.02   0.05    -0.08  -0.09   0.33
    14   1    -0.17   0.09   0.51     0.09  -0.10   0.10    -0.15   0.09   0.27
    15   1     0.03  -0.02  -0.18     0.13   0.13   0.09    -0.05  -0.02   0.09
    16   1    -0.00   0.00   0.10    -0.16  -0.08  -0.28     0.13   0.04  -0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    228.1123               238.8674               323.7049
 Red. masses --      8.6268                 7.1660                 5.2360
 Frc consts  --      0.2645                 0.2409                 0.3233
 IR Inten    --     21.3141                15.7689                19.5821
 RamAct Fr= 1--      0.1761                 0.7814                 0.4758
  Dep-P Fr= 1--      0.3613                 0.7481                 0.0842
  Dep-U Fr= 1--      0.5308                 0.8559                 0.1553
 Alpha2 Fr= 1--      0.0015                 0.0000                 0.0087
 Beta2  Fr= 1--      0.0156                 0.1115                 0.0123
 AlphaG Fr= 1--     -0.0006                 0.0006                -0.0064
 Gamma2 Fr= 1--      0.0304                -0.2413                 0.0675
 Delta2 Fr= 1--      0.0473                -0.1073                 0.0283
 Raman1 Fr= 1--       0.704                  3.125                  1.903
 ROA1   Fr= 1--       4.431                -26.601                  7.385
 CID1   Fr= 1--       6.292                 -8.511                  3.880
 Raman2 Fr= 1--       0.187                  1.338                  0.148
 ROA2   Fr= 1--       0.351                 -4.933                  1.394
 CID2   Fr= 1--       1.878                 -3.688                  9.433
 Raman3 Fr= 1--       0.374                  2.675                  0.296
 ROA3   Fr= 1--       4.431                -26.601                  7.385
 CID3   Fr= 1--      11.855                 -9.944                 24.984
 RC180  Fr= 1--       0.062                  0.712                 -0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.20  -0.03  -0.02     0.05  -0.11   0.07     0.10   0.04   0.08
     2   8    -0.26  -0.02  -0.02     0.29  -0.21  -0.11    -0.02   0.06  -0.10
     3   8    -0.18  -0.17   0.02     0.02   0.09  -0.08     0.22  -0.22   0.06
     4   6    -0.10   0.08   0.02    -0.12  -0.16   0.22     0.07   0.05   0.14
     5   6     0.00   0.16   0.13    -0.13   0.09   0.19    -0.01   0.02   0.12
     6   6     0.19  -0.01   0.06    -0.04   0.11   0.07     0.02  -0.01   0.05
     7   8     0.16  -0.15  -0.06    -0.03   0.04  -0.08     0.06   0.09   0.01
     8   8     0.05  -0.00  -0.14    -0.12  -0.17   0.01    -0.09   0.12  -0.17
     9   8    -0.12   0.10   0.10    -0.05   0.14  -0.09    -0.21  -0.07  -0.04
    10   8     0.40   0.08  -0.04     0.11   0.16  -0.07    -0.09  -0.02  -0.04
    11   1    -0.24   0.07   0.06    -0.20  -0.27   0.26     0.03  -0.16   0.20
    12   1     0.08   0.24   0.13    -0.25   0.22   0.26    -0.07   0.10   0.16
    13   1     0.44   0.16   0.00     0.09   0.13   0.01    -0.09  -0.05  -0.06
    14   1    -0.05  -0.18  -0.01    -0.18   0.10  -0.02     0.48  -0.23   0.08
    15   1     0.17   0.10  -0.10    -0.12  -0.13  -0.16    -0.19   0.08  -0.34
    16   1    -0.08  -0.00  -0.01    -0.02   0.14  -0.18    -0.18  -0.31  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    333.7030               363.7008               417.4328
 Red. masses --      7.6208                 5.0553                 5.1811
 Frc consts  --      0.5000                 0.3940                 0.5319
 IR Inten    --     19.6766                 4.1529                12.1503
 RamAct Fr= 1--      3.2291                 0.2383                 0.8749
  Dep-P Fr= 1--      0.1909                 0.5954                 0.6085
  Dep-U Fr= 1--      0.3205                 0.7464                 0.7566
 Alpha2 Fr= 1--      0.0449                 0.0007                 0.0023
 Beta2  Fr= 1--      0.1725                 0.0296                 0.1103
 AlphaG Fr= 1--      0.0143                 0.0033                -0.0098
 Gamma2 Fr= 1--      0.0378                -0.0407                 0.2372
 Delta2 Fr= 1--      0.1912                -0.0322                 0.1019
 Raman1 Fr= 1--      12.916                  0.953                  3.499
 ROA1   Fr= 1--       9.744                 -4.934                 26.035
 CID1   Fr= 1--       0.754                 -5.176                  7.440
 Raman2 Fr= 1--       2.070                  0.356                  1.324
 ROA2   Fr= 1--      -0.622                 -0.718                  4.879
 CID2   Fr= 1--      -0.301                 -2.020                  3.686
 Raman3 Fr= 1--       4.140                  0.711                  2.648
 ROA3   Fr= 1--       9.744                 -4.934                 26.035
 CID3   Fr= 1--       2.354                 -6.935                  9.833
 RC180  Fr= 1--      -0.359                  0.493                  0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.04    -0.02   0.01  -0.01    -0.03   0.11   0.06
     2   8    -0.09  -0.00   0.04     0.05  -0.01   0.01    -0.12   0.12  -0.09
     3   8    -0.15   0.10  -0.03    -0.07   0.15  -0.03     0.00   0.07  -0.03
     4   6    -0.07  -0.04   0.01    -0.01   0.02   0.02    -0.02   0.02   0.22
     5   6     0.15  -0.08   0.12     0.00   0.04   0.06    -0.01  -0.03   0.20
     6   6     0.19  -0.05   0.12     0.02  -0.02   0.03    -0.05  -0.10   0.04
     7   8     0.32   0.26   0.06     0.06   0.08   0.01    -0.02  -0.14  -0.07
     8   8    -0.20   0.01   0.13     0.34  -0.12  -0.05     0.09  -0.03  -0.05
     9   8     0.06  -0.13  -0.24    -0.26  -0.08   0.04     0.25   0.09  -0.08
    10   8    -0.04  -0.08  -0.10    -0.12  -0.05  -0.04    -0.10  -0.13  -0.07
    11   1    -0.17   0.03   0.02    -0.08   0.10   0.03    -0.16  -0.06   0.27
    12   1     0.22   0.14   0.15     0.03   0.07   0.06    -0.16   0.02   0.26
    13   1    -0.06  -0.21  -0.05    -0.14  -0.13  -0.01    -0.10  -0.14  -0.08
    14   1    -0.25   0.10  -0.05    -0.21   0.16  -0.07    -0.00   0.07  -0.02
    15   1    -0.35  -0.10  -0.00     0.57   0.15  -0.26     0.11   0.13  -0.55
    16   1     0.04  -0.36  -0.15    -0.25  -0.34   0.06     0.15   0.25   0.20
                     10                     11                     12
                      A                      A                      A
 Frequencies --    473.7899               517.7383               537.6214
 Red. masses --      1.3752                 3.3865                 1.9009
 Frc consts  --      0.1819                 0.5348                 0.3237
 IR Inten    --     28.1515                11.8291                80.1549
 RamAct Fr= 1--      1.0631                 4.3041                 1.5472
  Dep-P Fr= 1--      0.5435                 0.4479                 0.0812
  Dep-U Fr= 1--      0.7043                 0.6186                 0.1501
 Alpha2 Fr= 1--      0.0042                 0.0266                 0.0284
 Beta2  Fr= 1--      0.1248                 0.4438                 0.0387
 AlphaG Fr= 1--      0.0131                 0.0218                 0.0457
 Gamma2 Fr= 1--      0.4699                -2.1614                 0.0385
 Delta2 Fr= 1--      0.0976                -1.2006                -0.0434
 Raman1 Fr= 1--       4.252                 17.216                  6.189
 ROA1   Fr= 1--      48.231               -245.918                  2.302
 CID1   Fr= 1--      11.342                -14.284                  0.372
 Raman2 Fr= 1--       1.497                  5.325                  0.465
 ROA2   Fr= 1--      10.496                -42.270                  1.271
 CID2   Fr= 1--       7.010                 -7.937                  2.735
 Raman3 Fr= 1--       2.995                 10.651                  0.929
 ROA3   Fr= 1--      48.231               -245.918                  2.302
 CID3   Fr= 1--      16.105                -23.089                  2.478
 RC180  Fr= 1--       0.409                  0.237                 -0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.03    -0.05  -0.09   0.01    -0.03  -0.01   0.10
     2   8     0.01  -0.04   0.00     0.14  -0.14   0.06    -0.02  -0.04  -0.03
     3   8    -0.01   0.01  -0.02    -0.06  -0.06  -0.00    -0.03   0.02  -0.04
     4   6     0.02   0.02   0.04    -0.02   0.09  -0.03     0.02   0.02   0.11
     5   6     0.00   0.03   0.01     0.02   0.11  -0.05    -0.01  -0.04  -0.03
     6   6     0.01  -0.03   0.02     0.07  -0.03  -0.04     0.02   0.02  -0.11
     7   8     0.02  -0.02   0.02     0.07  -0.05   0.01    -0.01   0.04   0.02
     8   8     0.01   0.06  -0.07    -0.03   0.13   0.01     0.01   0.05  -0.07
     9   8    -0.00   0.05   0.00    -0.00   0.16   0.04     0.03  -0.06  -0.06
    10   8    -0.05  -0.05  -0.03    -0.11  -0.12  -0.03     0.04   0.02   0.06
    11   1     0.02   0.02   0.04     0.01   0.13  -0.05     0.09  -0.05   0.11
    12   1    -0.03   0.10   0.03     0.06   0.11  -0.06    -0.16  -0.19  -0.01
    13   1    -0.06  -0.10  -0.03    -0.15  -0.27  -0.01     0.07   0.07  -0.02
    14   1    -0.09   0.01  -0.01    -0.01  -0.06   0.00    -0.14   0.04   0.02
    15   1     0.15  -0.06   0.81    -0.16   0.15  -0.49     0.11   0.01   0.39
    16   1     0.15   0.13  -0.46    -0.19   0.10   0.60    -0.25  -0.15   0.75
                     13                     14                     15
                      A                      A                      A
 Frequencies --    589.8038               610.7104               671.8309
 Red. masses --      2.6964                 3.1956                 4.2171
 Frc consts  --      0.5526                 0.7022                 1.1215
 IR Inten    --     46.7171                21.8890                26.7278
 RamAct Fr= 1--      1.6579                 1.8787                 0.5041
  Dep-P Fr= 1--      0.2501                 0.6248                 0.7018
  Dep-U Fr= 1--      0.4002                 0.7691                 0.8248
 Alpha2 Fr= 1--      0.0196                 0.0043                 0.0004
 Beta2  Fr= 1--      0.1106                 0.2408                 0.0693
 AlphaG Fr= 1--     -0.0563                 0.0090                -0.0003
 Gamma2 Fr= 1--      1.2317                 1.2330                -0.5470
 Delta2 Fr= 1--      0.0737                 1.1292                -0.4186
 Raman1 Fr= 1--       6.632                  7.515                  2.016
 ROA1   Fr= 1--     120.604                154.504                -65.904
 CID1   Fr= 1--      18.187                 20.559                -32.683
 Raman2 Fr= 1--       1.327                  2.890                  0.832
 ROA2   Fr= 1--      28.972                 20.559                 -9.778
 CID2   Fr= 1--      21.835                  7.114                -11.759
 Raman3 Fr= 1--       2.654                  5.780                  1.663
 ROA3   Fr= 1--     120.604                154.504                -65.904
 CID3   Fr= 1--      45.447                 26.733                -39.626
 RC180  Fr= 1--      -0.200                  0.538                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.17    -0.05  -0.07   0.00    -0.08   0.11  -0.07
     2   8    -0.07  -0.02  -0.07     0.04  -0.12   0.03     0.17   0.06   0.03
     3   8    -0.00   0.06  -0.07    -0.11   0.01  -0.03    -0.06  -0.12   0.04
     4   6     0.06  -0.05   0.08     0.07   0.08   0.06    -0.17   0.09   0.05
     5   6    -0.02   0.02  -0.14     0.05  -0.07   0.06    -0.16  -0.08  -0.01
     6   6     0.08  -0.00  -0.14    -0.06   0.03   0.02    -0.03  -0.08  -0.14
     7   8     0.05   0.04   0.09    -0.09  -0.02  -0.02     0.01   0.18   0.08
     8   8    -0.02  -0.04   0.02     0.06   0.20  -0.03     0.04  -0.02  -0.02
     9   8    -0.03   0.04   0.09     0.05  -0.15  -0.01     0.05  -0.01  -0.01
    10   8     0.02  -0.05   0.04     0.02   0.09   0.01     0.10  -0.12   0.04
    11   1     0.29  -0.23   0.05     0.03   0.15   0.06    -0.31   0.19   0.06
    12   1    -0.15  -0.07  -0.13     0.01  -0.10   0.07    -0.36  -0.22   0.02
    13   1     0.04  -0.04  -0.10     0.01   0.10   0.08     0.16   0.05  -0.02
    14   1    -0.14   0.08   0.07    -0.14   0.00  -0.03     0.34  -0.18  -0.20
    15   1    -0.17  -0.03  -0.48    -0.13   0.17  -0.54     0.20   0.13  -0.04
    16   1     0.18   0.16  -0.56     0.25  -0.09  -0.60     0.14   0.22  -0.30
                     16                     17                     18
                      A                      A                      A
 Frequencies --    736.8360               753.8405               757.8937
 Red. masses --      1.2721                 3.9115                 6.0088
 Frc consts  --      0.4069                 1.3096                 2.0335
 IR Inten    --     89.1039                 1.5708                15.9919
 RamAct Fr= 1--      0.9955                 0.0467                 8.0385
  Dep-P Fr= 1--      0.2726                 0.7479                 0.0662
  Dep-U Fr= 1--      0.4285                 0.8558                 0.1242
 Alpha2 Fr= 1--      0.0111                 0.0000                 0.1528
 Beta2  Fr= 1--      0.0711                 0.0067                 0.1664
 AlphaG Fr= 1--      0.0538                -0.0004                -0.0465
 Gamma2 Fr= 1--      0.0623                -0.0858                 0.4436
 Delta2 Fr= 1--      0.1907                -0.0086                -0.1629
 Raman1 Fr= 1--       3.982                  0.187                 32.154
 ROA1   Fr= 1--      12.089                 -8.518                 37.369
 CID1   Fr= 1--       3.036                -45.572                  1.162
 Raman2 Fr= 1--       0.853                  0.080                  1.996
 ROA2   Fr= 1--      -0.029                 -1.991                 11.948
 CID2   Fr= 1--      -0.035                -24.901                  5.985
 Raman3 Fr= 1--       1.706                  0.160                  3.993
 ROA3   Fr= 1--      12.089                 -8.518                 37.369
 CID3   Fr= 1--       7.085                -53.254                  9.359
 RC180  Fr= 1--      -0.143                  0.712                 -0.752
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.11   0.10   0.28     0.18  -0.19  -0.15
     2   8     0.01   0.01   0.02     0.07   0.00  -0.09    -0.19  -0.11   0.02
     3   8     0.02  -0.03  -0.06    -0.05  -0.03  -0.03     0.10   0.14   0.07
     4   6    -0.01   0.00  -0.03     0.01   0.00  -0.09     0.11  -0.04   0.00
     5   6    -0.03  -0.01  -0.01    -0.01  -0.01  -0.11    -0.12  -0.03   0.02
     6   6    -0.05  -0.04   0.06    -0.13  -0.09   0.26    -0.16  -0.16   0.06
     7   8    -0.01   0.05  -0.01    -0.01   0.08  -0.07    -0.04   0.19  -0.01
     8   8     0.01   0.01  -0.01     0.02   0.01   0.02     0.02   0.11  -0.00
     9   8     0.01   0.01  -0.00     0.02  -0.02   0.01    -0.04   0.11   0.01
    10   8     0.04  -0.03  -0.01     0.06  -0.04  -0.06     0.16  -0.17  -0.01
    11   1     0.04  -0.00  -0.04     0.36  -0.17  -0.16     0.06   0.08  -0.01
    12   1     0.03   0.02  -0.02     0.33   0.16  -0.16    -0.15   0.06   0.05
    13   1     0.05   0.03   0.02     0.05   0.05   0.16     0.23   0.16   0.04
    14   1    -0.24   0.13   0.95     0.22  -0.12  -0.53    -0.18   0.07  -0.61
    15   1    -0.00   0.00  -0.03     0.04   0.02   0.04    -0.13   0.00  -0.13
    16   1    -0.01   0.04   0.03    -0.03   0.03   0.16    -0.09   0.17   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    894.4386               905.1655               936.4318
 Red. masses --      1.4505                 2.3246                 4.1013
 Frc consts  --      0.6837                 1.1221                 2.1190
 IR Inten    --     64.7487                30.8030                 0.6842
 RamAct Fr= 1--      0.9675                 0.3992                 2.7111
  Dep-P Fr= 1--      0.6662                 0.2969                 0.2007
  Dep-U Fr= 1--      0.7997                 0.4579                 0.3343
 Alpha2 Fr= 1--      0.0014                 0.0041                 0.0368
 Beta2  Fr= 1--      0.1290                 0.0305                 0.1511
 AlphaG Fr= 1--     -0.0157                -0.0104                 0.0349
 Gamma2 Fr= 1--      0.8530                 0.5321                -0.6930
 Delta2 Fr= 1--      0.5514                 0.3299                -0.1018
 Raman1 Fr= 1--       3.870                  1.597                 10.844
 ROA1   Fr= 1--      99.530                 61.642                -69.783
 CID1   Fr= 1--      25.717                 38.601                 -6.435
 Raman2 Fr= 1--       1.547                  0.366                  1.813
 ROA2   Fr= 1--      16.061                 10.132                -15.816
 CID2   Fr= 1--      10.379                 27.714                 -8.726
 Raman3 Fr= 1--       3.095                  0.731                  3.625
 ROA3   Fr= 1--      99.530                 61.642                -69.783
 CID3   Fr= 1--      32.159                 84.306                -19.249
 RC180  Fr= 1--       0.599                 -0.084                 -0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.02   0.05  -0.08    -0.01  -0.04   0.16
     2   8    -0.03  -0.02  -0.02     0.04   0.06  -0.01    -0.05  -0.08  -0.03
     3   8     0.05   0.02   0.01    -0.11  -0.04  -0.01     0.15   0.04   0.00
     4   6    -0.07   0.02   0.01     0.15  -0.06   0.06    -0.21   0.11  -0.10
     5   6    -0.09  -0.04  -0.06     0.12   0.05   0.05     0.22   0.11   0.09
     6   6     0.04   0.02   0.03    -0.05  -0.02  -0.09    -0.05  -0.02  -0.17
     7   8     0.05  -0.02   0.02    -0.08   0.04   0.01    -0.12   0.04   0.01
     8   8     0.01   0.02  -0.01    -0.02  -0.03   0.00    -0.04  -0.04   0.02
     9   8     0.02  -0.02  -0.00    -0.03   0.05   0.01     0.02  -0.03  -0.01
    10   8    -0.01   0.04  -0.04     0.04  -0.06  -0.03     0.05  -0.08   0.01
    11   1    -0.06   0.05  -0.00     0.15  -0.18   0.09    -0.39   0.21  -0.06
    12   1    -0.13  -0.09  -0.06     0.09   0.12   0.07     0.42   0.19   0.05
    13   1    -0.21  -0.16   0.91    -0.09  -0.04   0.83     0.03   0.05   0.31
    14   1    -0.02   0.02   0.01     0.05  -0.04   0.05    -0.07   0.06   0.01
    15   1     0.09   0.09  -0.03    -0.17  -0.19   0.07     0.21   0.21  -0.01
    16   1     0.01   0.14  -0.00    -0.03  -0.17   0.03     0.09  -0.32  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1020.2756              1127.1730              1137.4767
 Red. masses --      5.9687                 5.4793                 5.5608
 Frc consts  --      3.6607                 4.1016                 4.2391
 IR Inten    --     17.3205               176.5827                33.6898
 RamAct Fr= 1--      6.6478                 1.4511                 1.4408
  Dep-P Fr= 1--      0.2169                 0.7182                 0.7463
  Dep-U Fr= 1--      0.3564                 0.8360                 0.8547
 Alpha2 Fr= 1--      0.0863                 0.0008                 0.0001
 Beta2  Fr= 1--      0.3949                 0.2022                 0.2053
 AlphaG Fr= 1--      0.0662                 0.0147                 0.0034
 Gamma2 Fr= 1--     -0.7540                 0.5996                -0.0686
 Delta2 Fr= 1--      0.5250                 0.3287                -0.4755
 Raman1 Fr= 1--      26.591                  5.804                  5.763
 ROA1   Fr= 1--     -55.587                 68.080                -21.807
 CID1   Fr= 1--      -2.090                 11.729                 -3.784
 Raman2 Fr= 1--       4.739                  2.426                  2.463
 ROA2   Fr= 1--     -22.297                 11.760                  2.157
 CID2   Fr= 1--      -4.705                  4.847                  0.876
 Raman3 Fr= 1--       9.478                  4.852                  4.926
 ROA3   Fr= 1--     -55.587                 68.080                -21.807
 CID3   Fr= 1--      -5.865                 14.030                 -4.427
 RC180  Fr= 1--      -0.287                  0.672                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.04  -0.17    -0.04  -0.01  -0.05    -0.05  -0.01   0.04
     2   8    -0.00   0.01   0.04    -0.01  -0.03   0.01    -0.00  -0.07   0.01
     3   8    -0.01   0.00   0.03     0.01   0.02   0.00     0.01   0.03  -0.01
     4   6    -0.10   0.11   0.38     0.16   0.13  -0.03     0.26   0.41  -0.04
     5   6     0.19   0.10  -0.37    -0.22   0.38   0.05     0.02  -0.18   0.05
     6   6    -0.07  -0.04   0.16     0.02   0.05  -0.02    -0.01  -0.03   0.05
     7   8    -0.02   0.01  -0.05    -0.01   0.01   0.00     0.01  -0.00  -0.00
     8   8    -0.09  -0.09  -0.04    -0.06  -0.10  -0.00    -0.12  -0.24  -0.04
     9   8     0.02  -0.05   0.04     0.11  -0.29   0.01    -0.04   0.10  -0.02
    10   8     0.01  -0.00  -0.02     0.01  -0.08  -0.01    -0.00   0.03  -0.00
    11   1    -0.09   0.10   0.37     0.26   0.02  -0.05     0.07   0.59  -0.05
    12   1     0.22   0.11  -0.37    -0.06   0.59   0.08    -0.26  -0.41   0.07
    13   1     0.05   0.07  -0.15     0.00  -0.07  -0.01    -0.01   0.04   0.05
    14   1    -0.04   0.00   0.01     0.07   0.01   0.03     0.07   0.03   0.05
    15   1     0.29   0.26  -0.05    -0.03  -0.08  -0.00     0.03  -0.09  -0.02
    16   1     0.04  -0.14  -0.00     0.01   0.40   0.14    -0.02  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1222.1990              1241.4673              1264.9717
 Red. masses --      1.4129                 1.6103                 1.4161
 Frc consts  --      1.2435                 1.4623                 1.3351
 IR Inten    --     68.1414                10.2251                 5.3623
 RamAct Fr= 1--      5.6865                 4.0164                 6.0761
  Dep-P Fr= 1--      0.5261                 0.5089                 0.1567
  Dep-U Fr= 1--      0.6895                 0.6746                 0.2710
 Alpha2 Fr= 1--      0.0247                 0.0190                 0.0923
 Beta2  Fr= 1--      0.6535                 0.4516                 0.2744
 AlphaG Fr= 1--      0.0103                 0.0112                -0.0270
 Gamma2 Fr= 1--      0.8758                -0.9646                 1.1102
 Delta2 Fr= 1--      0.5196                -0.6134                 0.4332
 Raman1 Fr= 1--      22.746                 16.066                 24.304
 ROA1   Fr= 1--     100.703               -112.227                120.438
 CID1   Fr= 1--       4.427                 -6.986                  4.955
 Raman2 Fr= 1--       7.841                  5.419                  3.293
 ROA2   Fr= 1--      16.862                -18.243                 23.178
 CID2   Fr= 1--       2.150                 -3.367                  7.039
 Raman3 Fr= 1--      15.683                 10.837                  6.585
 ROA3   Fr= 1--     100.703               -112.227                120.438
 CID3   Fr= 1--       6.421                -10.356                 18.289
 RC180  Fr= 1--       0.379                  0.349                 -0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02  -0.00    -0.08   0.02  -0.04    -0.10   0.01  -0.08
     2   8     0.01   0.04  -0.00    -0.01  -0.05   0.01    -0.02  -0.06   0.02
     3   8    -0.05  -0.05   0.00     0.04   0.04   0.01     0.04   0.05   0.01
     4   6    -0.03   0.04  -0.00    -0.02   0.01   0.05    -0.03   0.00   0.01
     5   6    -0.04  -0.04   0.06    -0.02  -0.10   0.01    -0.01   0.02   0.04
     6   6     0.00  -0.02  -0.04    -0.01  -0.09  -0.08     0.01   0.05   0.02
     7   8     0.01  -0.00   0.01     0.03  -0.00   0.02    -0.02   0.00  -0.01
     8   8    -0.05  -0.01   0.00     0.02  -0.00  -0.01    -0.01   0.01   0.01
     9   8     0.00   0.01  -0.01    -0.01   0.00   0.00     0.01   0.02  -0.01
    10   8    -0.01   0.02   0.00    -0.02   0.07   0.01     0.02  -0.03  -0.00
    11   1     0.52  -0.18  -0.12     0.19   0.00  -0.01     0.52  -0.39  -0.07
    12   1     0.28   0.10  -0.00     0.57   0.56  -0.01     0.02  -0.39  -0.07
    13   1    -0.00   0.08   0.02    -0.00   0.12  -0.00    -0.00  -0.14  -0.03
    14   1    -0.45  -0.03  -0.11     0.34   0.02   0.09     0.43   0.03   0.11
    15   1     0.40   0.42  -0.05    -0.12  -0.14   0.02     0.19   0.18   0.02
    16   1     0.01   0.05  -0.02    -0.04   0.32   0.05     0.04  -0.29  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.6459              1339.3920              1371.4172
 Red. masses --      2.5429                 1.1800                 1.1789
 Frc consts  --      2.5190                 1.2473                 1.3064
 IR Inten    --    120.8540               105.1891                72.3703
 RamAct Fr= 1--      5.6745                 2.8634                 4.8072
  Dep-P Fr= 1--      0.3442                 0.3594                 0.6180
  Dep-U Fr= 1--      0.5121                 0.5288                 0.7639
 Alpha2 Fr= 1--      0.0508                 0.0244                 0.0116
 Beta2  Fr= 1--      0.4843                 0.2524                 0.6120
 AlphaG Fr= 1--      0.0063                -0.0168                 0.0202
 Gamma2 Fr= 1--      0.0061                -1.9075                 0.0122
 Delta2 Fr= 1--      0.0191                -0.0161                -0.6126
 Raman1 Fr= 1--      22.698                 11.453                 19.229
 ROA1   Fr= 1--       1.200               -183.635                -18.430
 CID1   Fr= 1--       0.053                -16.033                 -0.958
 Raman2 Fr= 1--       5.812                  3.028                  7.344
 ROA2   Fr= 1--      -0.006                -45.652                  5.193
 CID2   Fr= 1--      -0.001                -15.075                  0.707
 Raman3 Fr= 1--      11.624                  6.057                 14.689
 ROA3   Fr= 1--       1.200               -183.635                -18.430
 CID3   Fr= 1--       0.103                -30.320                 -1.255
 RC180  Fr= 1--       0.024                  0.058                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   8    -0.01   0.02  -0.00     0.01   0.03  -0.00    -0.01  -0.00  -0.00
     3   8    -0.00  -0.00  -0.00     0.02  -0.01   0.01    -0.02   0.01  -0.01
     4   6     0.01   0.00   0.02    -0.04  -0.03   0.06    -0.00  -0.09   0.00
     5   6     0.03  -0.13   0.00    -0.05   0.03   0.02     0.04  -0.03  -0.01
     6   6     0.07   0.27   0.04     0.01   0.02   0.00     0.00   0.02   0.01
     7   8    -0.08   0.01  -0.02    -0.01   0.00  -0.00    -0.01   0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.02  -0.01  -0.03    -0.04   0.00  -0.01
     9   8    -0.06  -0.02  -0.02     0.01   0.01  -0.01     0.00  -0.00   0.02
    10   8     0.06  -0.13  -0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    11   1    -0.10   0.02   0.06     0.33   0.62  -0.19     0.26   0.54  -0.21
    12   1     0.37   0.08  -0.05     0.33  -0.26  -0.16    -0.40   0.37   0.22
    13   1    -0.03  -0.48  -0.07    -0.01  -0.11   0.00    -0.00  -0.02  -0.00
    14   1    -0.01  -0.00   0.00    -0.19  -0.01  -0.06     0.30   0.01   0.09
    15   1     0.06   0.06  -0.01    -0.26  -0.28  -0.01     0.25   0.26  -0.02
    16   1    -0.10   0.68   0.05     0.02  -0.21  -0.04     0.01  -0.05   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1385.3234              1409.8370              1430.0101
 Red. masses --      1.4176                 1.4493                 2.0953
 Frc consts  --      1.6029                 1.6972                 2.5245
 IR Inten    --    275.0836               122.6179               196.7509
 RamAct Fr= 1--      4.2070                 2.1638                 2.1653
  Dep-P Fr= 1--      0.3497                 0.3589                 0.4310
  Dep-U Fr= 1--      0.5182                 0.5283                 0.6024
 Alpha2 Fr= 1--      0.0370                 0.0184                 0.0143
 Beta2  Fr= 1--      0.3633                 0.1905                 0.2174
 AlphaG Fr= 1--     -0.0075                 0.0471                -0.0252
 Gamma2 Fr= 1--     -2.0816                 0.5206                -0.0154
 Delta2 Fr= 1--     -0.1549                 0.7069                 0.4022
 Raman1 Fr= 1--      16.828                  8.655                  8.661
 ROA1   Fr= 1--    -204.787                 72.601                 11.394
 CID1   Fr= 1--     -12.170                  8.388                  1.316
 Raman2 Fr= 1--       4.360                  2.286                  2.609
 ROA2   Fr= 1--     -48.718                  6.840                 -3.586
 CID2   Fr= 1--     -11.174                  2.992                 -1.375
 Raman3 Fr= 1--       8.719                  4.572                  5.218
 ROA3   Fr= 1--    -204.787                 72.601                 11.394
 CID3   Fr= 1--     -23.486                 15.879                  2.184
 RC180  Fr= 1--       0.036                  0.057                  0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.00   0.04     0.08  -0.01   0.01     0.19  -0.03   0.03
     2   8    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
     3   8    -0.08   0.02  -0.03    -0.04   0.01  -0.01    -0.10   0.01  -0.02
     4   6     0.07  -0.06   0.00    -0.09   0.03   0.00    -0.10   0.12  -0.01
     5   6    -0.07   0.03   0.01     0.10   0.04   0.03    -0.06  -0.05  -0.03
     6   6     0.00  -0.01  -0.01    -0.03   0.00   0.01     0.04   0.06   0.01
     7   8     0.01  -0.00   0.01     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.03   0.00   0.00     0.02  -0.01  -0.01     0.05  -0.01  -0.00
     9   8     0.00   0.01  -0.01    -0.04  -0.03  -0.02     0.04   0.02   0.02
    10   8    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01     0.01  -0.02  -0.00
    11   1    -0.38   0.19   0.08     0.30   0.01  -0.12     0.11  -0.23   0.00
    12   1     0.47  -0.29  -0.23    -0.17  -0.36   0.02    -0.05   0.39   0.08
    13   1     0.01   0.16   0.04     0.05   0.46   0.08    -0.01  -0.17  -0.00
    14   1     0.50   0.01   0.15     0.25  -0.00   0.06     0.40  -0.01   0.10
    15   1     0.25   0.26  -0.00    -0.16  -0.18   0.01    -0.31  -0.35   0.05
    16   1     0.01  -0.03  -0.04    -0.08   0.59   0.04     0.07  -0.50  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1472.0672              1785.3903              1820.1838
 Red. masses --      1.5115                 9.0202                 8.2062
 Frc consts  --      1.9298                16.9408                16.0186
 IR Inten    --    155.5918               320.8943               292.6858
 RamAct Fr= 1--      1.3842                26.8888                13.4594
  Dep-P Fr= 1--      0.2662                 0.0938                 0.4265
  Dep-U Fr= 1--      0.4204                 0.1715                 0.5980
 Alpha2 Fr= 1--      0.0157                 0.4780                 0.0904
 Beta2  Fr= 1--      0.0970                 0.7684                 1.3414
 AlphaG Fr= 1--      0.0067                -0.0201                 0.1002
 Gamma2 Fr= 1--     -0.4479                -0.7434                 0.6276
 Delta2 Fr= 1--      0.0927                 0.0061                -0.0005
 Raman1 Fr= 1--       5.537                107.555                 53.838
 ROA1   Fr= 1--     -40.033                -71.169                 60.233
 CID1   Fr= 1--      -7.230                 -0.662                  1.119
 Raman2 Fr= 1--       1.164                  9.220                 16.097
 ROA2   Fr= 1--     -11.491                -17.890                 15.066
 CID2   Fr= 1--      -9.872                 -1.940                  0.936
 Raman3 Fr= 1--       2.328                 18.441                 32.195
 ROA3   Fr= 1--     -40.033                -71.169                 60.233
 CID3   Fr= 1--     -17.197                 -3.859                  1.871
 RC180  Fr= 1--      -0.159                 -0.657                  0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.01     0.16   0.59  -0.08    -0.10  -0.30   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.35   0.05     0.05   0.17  -0.02
     3   8     0.03  -0.00   0.01     0.00  -0.06   0.01     0.01   0.03  -0.00
     4   6     0.02  -0.00   0.01    -0.00  -0.05   0.01    -0.01   0.01  -0.00
     5   6    -0.05  -0.05  -0.02     0.00   0.00  -0.01    -0.02  -0.00  -0.00
     6   6     0.02   0.13   0.02     0.30  -0.09   0.07     0.52  -0.24   0.10
     7   8     0.03  -0.03   0.00    -0.18   0.06  -0.04    -0.32   0.11  -0.07
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.01  -0.00
     9   8     0.01   0.02   0.01    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.02    -0.04  -0.00  -0.01    -0.06   0.03  -0.01
    11   1    -0.04  -0.01   0.03    -0.01   0.10  -0.01     0.03  -0.05  -0.01
    12   1     0.05   0.18   0.00    -0.06  -0.02  -0.01    -0.03  -0.10   0.00
    13   1     0.12   0.89   0.12     0.14   0.19   0.09     0.04   0.54   0.07
    14   1    -0.13   0.00  -0.03    -0.47   0.02  -0.12     0.22  -0.00   0.06
    15   1    -0.00  -0.00   0.00    -0.02  -0.02  -0.01     0.02   0.03   0.00
    16   1     0.04  -0.29  -0.02    -0.04   0.15   0.01    -0.04   0.19  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3001.1265              3021.8027              3219.4006
 Red. masses --      1.0820                 1.0840                 1.0738
 Frc consts  --      5.7417                 5.8321                 6.5572
 IR Inten    --     13.2219                14.2386               844.9797
 RamAct Fr= 1--    131.4914                26.9671                92.9183
  Dep-P Fr= 1--      0.1603                 0.2231                 0.2174
  Dep-U Fr= 1--      0.2763                 0.3649                 0.3572
 Alpha2 Fr= 1--      1.9801                 0.3442                 1.2044
 Beta2  Fr= 1--      6.0556                 1.6399                 5.5316
 AlphaG Fr= 1--     -0.3594                -0.1201                -0.0127
 Gamma2 Fr= 1--     -4.2657                 2.8971                 0.4645
 Delta2 Fr= 1--     -5.4007                 6.8936                 1.7889
 Raman1 Fr= 1--     525.966                107.868                371.673
 ROA1   Fr= 1--    -582.327                498.722                101.832
 CID1   Fr= 1--      -1.107                  4.623                  0.274
 Raman2 Fr= 1--      72.667                 19.679                 66.379
 ROA2   Fr= 1--     -59.170                 14.382                 -3.164
 CID2   Fr= 1--      -0.814                  0.731                 -0.048
 Raman3 Fr= 1--     145.334                 39.358                132.758
 ROA3   Fr= 1--    -582.327                498.722                101.832
 CID3   Fr= 1--      -4.007                 12.671                  0.767
 RC180  Fr= 1--      -0.447                 -0.270                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.02  -0.01  -0.07    -0.01  -0.01  -0.03     0.00   0.00  -0.00
     5   6     0.01  -0.01   0.03    -0.02   0.02  -0.07     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.06   0.01  -0.01
    11   1     0.26   0.19   0.87     0.10   0.07   0.35    -0.00   0.00  -0.00
    12   1    -0.11   0.09  -0.35     0.26  -0.21   0.86    -0.00  -0.00  -0.00
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.97  -0.19   0.16
    14   1     0.00   0.01  -0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
    15   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.00
    16   1     0.01   0.00   0.00    -0.01  -0.00  -0.01    -0.02   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3584.5675              3589.3900              3677.8414
 Red. masses --      1.0645                 1.0643                 1.0651
 Frc consts  --      8.0585                 8.0792                 8.4883
 IR Inten    --    178.1773               198.4792               109.3392
 RamAct Fr= 1--     82.3986                23.9554                34.9906
  Dep-P Fr= 1--      0.0628                 0.1474                 0.1126
  Dep-U Fr= 1--      0.1181                 0.2569                 0.2024
 Alpha2 Fr= 1--      1.5787                 0.3728                 0.5940
 Beta2  Fr= 1--      1.6222                 1.0259                 1.1803
 AlphaG Fr= 1--      0.0998                 0.0916                -0.0144
 Gamma2 Fr= 1--     -5.5061                 6.8752                -1.1789
 Delta2 Fr= 1--     -3.0832                 2.8271                -0.5718
 Raman1 Fr= 1--     329.594                 95.821                139.962
 ROA1   Fr= 1--    -627.244                750.490               -131.475
 CID1   Fr= 1--      -1.903                  7.832                 -0.939
 Raman2 Fr= 1--      19.467                 12.310                 14.164
 ROA2   Fr= 1--    -107.480                142.389                -23.721
 CID2   Fr= 1--      -5.521                 11.567                 -1.675
 Raman3 Fr= 1--      38.933                 24.621                 28.328
 ROA3   Fr= 1--    -627.244                750.490               -131.475
 CID3   Fr= 1--     -16.111                 30.482                 -4.641
 RC180  Fr= 1--      -0.764                 -0.486                 -0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.02  -0.00    -0.00  -0.06   0.01     0.00   0.01  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.04  -0.01
     9   8    -0.05  -0.00  -0.02    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.03  -0.00   0.00    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    14   1    -0.02  -0.30   0.04     0.07   0.94  -0.12    -0.00  -0.10   0.01
    15   1     0.07  -0.08  -0.02    -0.05   0.05   0.01    -0.66   0.71   0.20
    16   1     0.89   0.04   0.30     0.29   0.01   0.10     0.08   0.00   0.03

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   865.735951667.363582402.00096
           X            0.99999   0.00406  -0.00272
           Y           -0.00407   0.99999  -0.00149
           Z            0.00271   0.00150   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10005     0.05195     0.03606
 Rotational constants (GHZ):           2.08463     1.08239     0.75135
 Zero-point vibrational energy     304952.0 (Joules/Mol)
                                   72.88527 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    103.77   126.21   164.83   328.20   343.68
          (Kelvin)            465.74   480.12   523.28   600.59   681.68
                              744.91   773.52   848.60   878.68   966.61
                             1060.14  1084.61  1090.44  1286.90  1302.33
                             1347.32  1467.95  1621.75  1636.58  1758.47
                             1786.19  1820.01  1865.58  1927.09  1973.16
                             1993.17  2028.44  2057.47  2117.98  2568.78
                             2618.84  4317.95  4347.70  4632.00  5157.39
                             5164.33  5291.59
 
 Zero-point correction=                           0.116150 (Hartree/Particle)
 Thermal correction to Energy=                    0.125383
 Thermal correction to Enthalpy=                  0.126327
 Thermal correction to Gibbs Free Energy=         0.081403
 Sum of electronic and zero-point Energies=           -607.579004
 Sum of electronic and thermal Energies=              -607.569771
 Sum of electronic and thermal Enthalpies=            -607.568827
 Sum of electronic and thermal Free Energies=         -607.613750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.679             34.154             94.550
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.629
 Vibrational             76.902             28.193             23.994
 Vibration     1          0.598              1.967              4.094
 Vibration     2          0.601              1.958              3.710
 Vibration     3          0.607              1.937              3.190
 Vibration     4          0.651              1.798              1.894
 Vibration     5          0.657              1.781              1.811
 Vibration     6          0.708              1.628              1.291
 Vibration     7          0.715              1.608              1.242
 Vibration     8          0.737              1.547              1.106
 Vibration     9          0.780              1.432              0.901
 Vibration    10          0.831              1.308              0.727
 Vibration    11          0.873              1.211              0.615
 Vibration    12          0.893              1.167              0.570
 Vibration    13          0.947              1.054              0.468
 Vibration    14          0.970              1.009              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.360606D-37        -37.442967        -86.215617
 Total V=0       0.960087D+16         15.982311         36.800630
 Vib (Bot)       0.749085D-51        -51.125469       -117.720743
 Vib (Bot)    1  0.285867D+01          0.456164          1.050356
 Vib (Bot)    2  0.234481D+01          0.370108          0.852206
 Vib (Bot)    3  0.178599D+01          0.251879          0.579972
 Vib (Bot)    4  0.864137D+00         -0.063418         -0.146025
 Vib (Bot)    5  0.821299D+00         -0.085499         -0.196868
 Vib (Bot)    6  0.579430D+00         -0.236999         -0.545711
 Vib (Bot)    7  0.558637D+00         -0.252870         -0.582255
 Vib (Bot)    8  0.502713D+00         -0.298680         -0.687735
 Vib (Bot)    9  0.421464D+00         -0.375239         -0.864020
 Vib (Bot)   10  0.354871D+00         -0.449929         -1.036000
 Vib (Bot)   11  0.312413D+00         -0.505271         -1.163430
 Vib (Bot)   12  0.295358D+00         -0.529651         -1.219567
 Vib (Bot)   13  0.255819D+00         -0.592067         -1.363284
 Vib (Bot)   14  0.241804D+00         -0.616536         -1.419627
 Vib (V=0)       0.199438D+03          2.299808          5.295505
 Vib (V=0)    1  0.340207D+01          0.531743          1.224383
 Vib (V=0)    2  0.289753D+01          0.462028          1.063859
 Vib (V=0)    3  0.235466D+01          0.371928          0.856395
 Vib (V=0)    4  0.149836D+01          0.175618          0.404374
 Vib (V=0)    5  0.146153D+01          0.164807          0.379481
 Vib (V=0)    6  0.126534D+01          0.102206          0.235337
 Vib (V=0)    7  0.124972D+01          0.096812          0.222917
 Vib (V=0)    8  0.120903D+01          0.082436          0.189817
 Vib (V=0)    9  0.115394D+01          0.062182          0.143179
 Vib (V=0)   10  0.111313D+01          0.046548          0.107180
 Vib (V=0)   11  0.108958D+01          0.037258          0.085790
 Vib (V=0)   12  0.108072D+01          0.033713          0.077628
 Vib (V=0)   13  0.106164D+01          0.025979          0.059818
 Vib (V=0)   14  0.105540D+01          0.023417          0.053920
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.666561D+06          5.823840         13.409887
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3      33                                        11         1111111111  11  1                                   
     6  55           2      00                                        87         4443332222  11  0  998  777 6 65 554 4333  22  1    
     7  88           1      20                                        28         7318739642  32  2  309  553 7 19 317 1632  32  187  
     8  95           9      21                                        05         2005197512  77  0  654  847 2 10 884 7444  98  582  
 
     X  XX           X      XX                                        XX         XXXXXXXXXX  XX  X  XXX  XXX X XX XXX XXXX  XX  XXX  
     X  XX           X                                                XX         XXXXXXX  X   X       X    X      X                  
     X  XX           X                                                XX         XXXX  X      X                                      
        XX           X                                                XX         XX X         X                                      
        X            X                                                XX          X X                                                
                     X                                                XX            X                                                
                     X                                                XX            X                                                
                     X                                                 X                                                             
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004074   -0.000001755   -0.000003318
      2        8          -0.000003485   -0.000005707    0.000001032
      3        8           0.000005201    0.000002927   -0.000001410
      4        6           0.000003186    0.000004652    0.000001129
      5        6          -0.000004948    0.000003142   -0.000002528
      6        6          -0.000001929   -0.000008542    0.000005804
      7        8          -0.000004577    0.000006772    0.000000029
      8        8          -0.000000959   -0.000001581    0.000000714
      9        8           0.000003830   -0.000000467   -0.000005605
     10        8           0.000003193   -0.000001110    0.000000388
     11        1          -0.000001423   -0.000001061    0.000001238
     12        1          -0.000003339   -0.000007236   -0.000001271
     13        1           0.000002685    0.000012055    0.000001878
     14        1          -0.000000484   -0.000000824   -0.000000694
     15        1          -0.000002318    0.000000668    0.000001878
     16        1           0.000001293   -0.000001932    0.000000737
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012055 RMS     0.000003735
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.876191D+02  0.404474D-01  0.247819D+01
      2   0.404474D-01  0.784964D+02 -0.490228D+00
      3   0.247819D+01 -0.490228D+00  0.536728D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.443222D+01 -0.826193D+00 -0.508104D+01
      2  -0.167840D+01 -0.504819D+01 -0.331170D+01
      3  -0.139552D+02 -0.106454D+01  0.123258D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.109539D+02  0.212700D+02 -0.436791D+01
      2   0.484495D+01 -0.120700D+02  0.361749D+01
      3   0.610893D+01 -0.920006D+01  0.750423D+00
      4   0.185187D+02 -0.298837D+01 -0.113106D+02
      5  -0.418642D+01 -0.915601D+01 -0.324243D+01
      6  -0.799897D+01  0.615190D+00  0.848827D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.275678D+01 -0.843386D+00 -0.109125D+00  0.298473D+01  0.956303D+00
      2  -0.843386D+00  0.225248D+01 -0.300263D+00  0.956303D+00  0.552079D+01
      3  -0.109125D+00 -0.300263D+00  0.466796D+00 -0.281990D+00 -0.377112D+00
                 6             7             8             9            10 
      1  -0.281990D+00 -0.237461D+01  0.677184D+00  0.333553D+00 -0.238747D+01
      2  -0.377112D+00  0.677184D+00 -0.104795D+01 -0.147297D+00 -0.185928D+01
      3  -0.752810D-02  0.333553D+00 -0.147297D+00 -0.840295D+00  0.236168D+00
                11            12            13            14            15 
      1  -0.185928D+01  0.236168D+00 -0.610855D+01  0.181694D+00 -0.221864D-01
      2  -0.952797D+00  0.109540D+00  0.181694D+00 -0.119098D+02  0.677094D+00
      3   0.109540D+00 -0.490999D+00 -0.221864D-01  0.677094D+00 -0.198696D+01
                16            17            18            19            20 
      1   0.107784D+01 -0.374470D-01 -0.256909D+00  0.955396D+01  0.178725D+00
      2  -0.374470D-01  0.923752D+00 -0.262027D+01  0.178725D+00  0.605753D+00
      3  -0.256909D+00 -0.262027D+01  0.936893D+00  0.564442D+00  0.164900D+00
                21            22            23            24            25 
      1   0.564442D+00 -0.193141D+01  0.996726D+00 -0.178199D+00  0.212951D+01
      2   0.164900D+00  0.996726D+00 -0.348653D+01  0.696892D+00 -0.262103D+00
      3   0.116417D+01 -0.178199D+00  0.696892D+00 -0.133839D+00  0.230319D+01
                26            27            28            29            30 
      1  -0.262103D+00  0.230319D+01  0.613523D+01 -0.131864D+01 -0.595818D+00
      2   0.933023D+00  0.422271D+00 -0.131864D+01 -0.468627D+00  0.432931D+00
      3   0.422271D+00  0.971397D+00 -0.595818D+00  0.432931D+00  0.225744D+01
                31            32            33            34            35 
      1  -0.123228D+01 -0.186505D+01  0.100066D+01 -0.287909D+01  0.673063D+00
      2  -0.186505D+01 -0.140618D+01  0.380784D+00  0.673063D+00  0.206405D+00
      3   0.100066D+01  0.380784D+00  0.171789D+01  0.293898D+01  0.417061D+00
                36            37            38            39            40 
      1   0.293898D+01 -0.613288D+01  0.176703D+01  0.517036D+00 -0.276782D+00
      2   0.417061D+00  0.176703D+01  0.936845D+00  0.589090D+00  0.180472D+01
      3   0.500494D+01  0.517036D+00  0.589090D+00 -0.204764D+01  0.110861D+01
                41            42            43            44            45 
      1   0.180472D+01  0.110861D+01  0.304771D+01 -0.132218D+00 -0.287141D+01
      2  -0.140531D+00 -0.182536D+00 -0.132218D+00  0.381815D+00  0.127372D+01
      3  -0.182536D+00  0.182693D+01 -0.287141D+01  0.127372D+01 -0.482266D+01
                46            47            48            49            50 
      1   0.761011D+01 -0.223218D+01  0.918606D+00 -0.491353D+01 -0.122275D+01
      2  -0.223218D+01  0.127182D+01 -0.415738D-01 -0.122275D+01  0.439383D+00
      3   0.918606D+00 -0.415738D-01  0.702103D+00 -0.879457D+00 -0.191393D+00
                51            52            53            54            55 
      1  -0.879457D+00  0.182185D+01 -0.916142D-01  0.311780D+00 -0.152380D+02
      2  -0.191393D+00 -0.916142D-01  0.769694D+00 -0.761299D+00  0.174272D+01
      3  -0.124099D+01  0.311780D+00 -0.761299D+00  0.888839D+00 -0.129758D+01
                56            57            58            59            60 
      1   0.174272D+01 -0.129758D+01  0.275592D+01 -0.222850D+01  0.348346D+00
      2  -0.393181D+01  0.472309D-01 -0.222850D+01  0.224609D+01 -0.289805D+00
      3   0.472309D-01 -0.231236D+01  0.348346D+00 -0.289805D+00  0.102867D+01
                61            62            63            64            65 
      1  -0.228636D+01  0.159633D+00 -0.341284D+01  0.510265D+01  0.126176D+01
      2   0.159633D+00 -0.100250D+01  0.743123D+00  0.126176D+01  0.418663D+01
      3  -0.341284D+01  0.743123D+00 -0.169899D+01 -0.701210D+00 -0.546253D+00
                66            67            68            69            70 
      1  -0.701210D+00  0.168149D+00  0.289417D+01 -0.372724D+00 -0.686461D+00
      2  -0.546253D+00  0.289417D+01  0.254178D+01 -0.108324D+01 -0.318628D-01
      3   0.444174D+00 -0.372724D+00 -0.108324D+01 -0.259448D+00  0.727402D+00
                71            72            73            74            75 
      1  -0.318628D-01  0.727402D+00  0.270049D+01  0.113655D+01  0.657243D+00
      2  -0.118885D+01  0.125530D+01  0.113655D+01  0.204785D+01 -0.209161D+00
      3   0.125530D+01 -0.747213D+00  0.657243D+00 -0.209161D+00  0.941073D+00
                76            77            78            79            80 
      1   0.162374D+01 -0.786997D+00 -0.753281D+00  0.142672D+01 -0.494947D+00
      2  -0.786997D+00  0.609787D+01  0.134321D+01 -0.494947D+00  0.195686D+01
      3  -0.753281D+00  0.134321D+01  0.508987D+00 -0.367331D+00  0.158262D+01
                81            82            83            84            85 
      1  -0.367331D+00 -0.832458D+01 -0.133036D+01 -0.720326D+00  0.112590D+01
      2   0.158262D+01 -0.133036D+01 -0.162851D+01 -0.674961D-01 -0.618282D+00
      3   0.115914D+01 -0.720326D+00 -0.674961D-01 -0.222271D+00  0.423511D+00
                86            87            88            89            90 
      1  -0.618282D+00  0.423511D+00 -0.134007D+01  0.589508D-01 -0.214112D-02
      2  -0.746224D+01 -0.286860D+00  0.589508D-01 -0.798468D+00 -0.195120D+01
      3  -0.286860D+00 -0.972910D+00 -0.214112D-02 -0.195120D+01 -0.501643D+00
                91            92            93            94            95 
      1  -0.204179D+01 -0.235802D+00 -0.119222D+01 -0.371854D+00  0.178565D+00
      2  -0.235802D+00 -0.357871D+00 -0.115122D+00  0.178565D+00 -0.519426D+00
      3  -0.119222D+01 -0.115122D+00 -0.171908D+01 -0.325531D+00 -0.125667D+01
                96            97            98            99           100 
      1  -0.325531D+00 -0.150943D+01 -0.410157D+00 -0.113192D+01  0.206836D+01
      2  -0.125667D+01 -0.410157D+00 -0.177492D+01 -0.555471D+00 -0.515308D+00
      3  -0.105167D+01 -0.113192D+01 -0.555471D+00 -0.758279D+01  0.121999D+01
               101           102           103           104           105 
      1  -0.515308D+00  0.121999D+01 -0.633398D+00 -0.149670D+00 -0.308278D+00
      2   0.101821D+00 -0.189916D+00 -0.149670D+00 -0.574999D+00  0.124357D+01
      3  -0.189916D+00  0.166449D+01 -0.308278D+00  0.124357D+01 -0.115353D+01
               106           107           108           109           110 
      1   0.152337D+01 -0.248843D+00  0.139217D+01  0.910406D+01 -0.568135D+00
      2  -0.248843D+00  0.159726D+01 -0.791513D+00 -0.568135D+00  0.143708D+01
      3   0.139217D+01 -0.791513D+00  0.748093D+01  0.455813D+00  0.201112D+00
               111           112           113           114           115 
      1   0.455813D+00 -0.614802D+00  0.371603D+00 -0.399874D-01  0.131015D+01
      2   0.201112D+00  0.371603D+00 -0.190894D+01  0.503605D-01 -0.104694D+00
      3   0.377084D+00 -0.399874D-01  0.503605D-01 -0.567528D+00  0.191042D-01
               116           117           118           119           120 
      1  -0.104694D+00  0.191042D-01  0.178462D+01  0.135512D+01 -0.132775D+00
      2   0.305337D+00 -0.567317D+00  0.135512D+01  0.716964D+00  0.116506D+00
      3  -0.567317D+00  0.785627D-01 -0.132775D+00  0.116506D+00  0.625427D+00
               121           122           123           124           125 
      1   0.403731D+01  0.118312D+01  0.499163D+00 -0.403375D+00  0.111459D+00
      2   0.118312D+01  0.467382D+01 -0.354482D+00  0.111459D+00 -0.415662D+00
      3   0.499163D+00 -0.354482D+00  0.803058D+00  0.652110D+00  0.475878D+00
               126           127           128           129           130 
      1   0.652110D+00 -0.233192D+01  0.548759D+00  0.602040D+00  0.236917D+01
      2   0.475878D+00  0.548759D+00 -0.244818D+01  0.107006D+00 -0.678993D+00
      3   0.111351D+00  0.602040D+00  0.107006D+00 -0.518420D+00 -0.286409D+00
               131           132           133           134           135 
      1  -0.678993D+00 -0.286409D+00  0.724821D+00 -0.442345D-01 -0.478039D-01
      2   0.553167D+01 -0.491177D-01 -0.442345D-01  0.568971D+00  0.817416D+00
      3  -0.491177D-01  0.116995D+01 -0.478039D-01  0.817416D+00 -0.256076D-01
               136           137           138           139           140 
      1  -0.484601D+01  0.912436D+00 -0.422279D+00  0.101768D+01 -0.101666D+01
      2   0.912436D+00 -0.376945D+01 -0.298531D+00 -0.101666D+01  0.357279D+00
      3  -0.422279D+00 -0.298531D+00 -0.133198D+01  0.677542D-01 -0.320694D+00
               141           142           143           144 
      1   0.677542D-01 -0.158260D+01  0.177830D+00 -0.587938D+00
      2  -0.320694D+00  0.177830D+00 -0.141477D+01  0.406978D+00
      3   0.318904D+00 -0.587938D+00  0.406978D+00 -0.412854D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142794D-01 -0.179094D+01  0.121832D+01 -0.377594D+01  0.262591D+01
      2   0.348365D+01 -0.311760D+01 -0.462219D+01 -0.498715D+01  0.405738D+00
      3   0.452975D+00 -0.401672D+01  0.239449D+01 -0.706810D+01 -0.682409D+01
                 6             7             8             9            10 
      1   0.802087D+01 -0.317280D+00  0.955587D+01 -0.284548D+01  0.293633D+00
      2   0.138608D+00 -0.141399D+02  0.221480D+01 -0.465690D+01 -0.304695D+00
      3   0.203905D+01  0.499522D+01  0.307338D+01 -0.139112D+01  0.605940D+01
                11            12            13            14            15 
      1   0.345067D+00 -0.500772D+00 -0.512227D-01  0.416037D+00 -0.107062D+02
      2   0.677087D+00  0.321100D+01  0.804861D+00  0.969630D+00 -0.179876D+01
      3  -0.128876D+01 -0.109253D+01  0.178568D+02  0.180851D+02 -0.119674D+01
                16            17            18            19            20 
      1   0.138172D+01 -0.461710D+00  0.227498D+01  0.731521D+00  0.610541D+00
      2  -0.237777D+01 -0.537118D+01  0.215665D+01  0.973351D+00  0.671478D+00
      3  -0.290667D+01 -0.132442D+01  0.524508D+01 -0.293554D+01 -0.897032D+01
                21            22            23            24            25 
      1  -0.496551D+00  0.847148D+00 -0.178251D+01 -0.209768D+01  0.180422D+01
      2   0.884322D+01  0.101163D+01  0.208495D+01 -0.148277D+01  0.517692D+01
      3  -0.729701D+00 -0.252852D+00  0.152417D+02 -0.287872D+01 -0.125556D+01
                26            27            28            29            30 
      1   0.175685D+01  0.417172D+00  0.523995D+00  0.108022D+01  0.194106D+01
      2  -0.153609D+01  0.364680D+01 -0.311452D+01  0.958404D+00  0.368167D+01
      3  -0.443908D+01 -0.171956D+01  0.802431D+00 -0.366686D+01  0.249215D-01
                31            32            33            34            35 
      1   0.335251D+01  0.259862D+00 -0.228991D+01 -0.228809D+01  0.265289D+01
      2   0.296976D+01 -0.364082D+00 -0.185955D+01 -0.318876D+01  0.991736D+00
      3   0.478253D+01  0.202513D+01 -0.113585D+01 -0.150814D+01 -0.369067D+00
                36            37            38            39            40 
      1  -0.174230D+01 -0.876662D+00  0.221091D+01 -0.161595D+01  0.104840D+01
      2   0.373474D+01 -0.171805D+01 -0.664341D+00  0.306394D+01 -0.251543D+01
      3  -0.146845D+00  0.965495D+00 -0.162341D+01 -0.237785D+00  0.622741D+01
                41            42            43            44            45 
      1  -0.102120D+00 -0.190985D+01  0.150005D+01  0.213905D+01  0.241784D+01
      2  -0.884550D+00  0.115620D+01 -0.379913D+01 -0.217591D+01  0.337354D+01
      3   0.720051D+00  0.613887D+00  0.249263D+01 -0.991080D+00  0.685602D+00
                46            47            48            49            50 
      1   0.511643D+00 -0.514596D+01 -0.187240D+01 -0.412823D+01 -0.283662D+01
      2   0.380924D+01  0.280572D+01 -0.860346D+01  0.482073D+01  0.196327D+01
      3  -0.494890D+01  0.886703D+01 -0.115637D+01  0.287345D+01 -0.398074D+01
                51            52            53            54            55 
      1   0.572896D+01  0.209913D+01  0.127656D+02  0.235987D+01 -0.130974D+01
      2   0.246298D+01 -0.138716D+02 -0.232269D+01 -0.553875D+01  0.636499D+00
      3   0.185676D+01 -0.240799D+01  0.608591D+01 -0.851119D+00  0.934549D+01
                56            57            58            59            60 
      1   0.237790D+01  0.833801D+00  0.126062D+01 -0.416971D+00 -0.357617D+01
      2  -0.591134D+00  0.138731D+02 -0.152165D+01 -0.136234D+00 -0.223869D+01
      3  -0.210465D+02  0.615147D+00 -0.245759D+01  0.991842D+01 -0.806456D+00
                61            62            63            64            65 
      1  -0.271201D+01  0.154031D+01 -0.938228D+00  0.194208D+01 -0.212573D+01
      2   0.517946D+01  0.830841D+00  0.529924D+01  0.171638D+01 -0.571255D-01
      3   0.102941D+01 -0.476909D+01  0.344522D+01  0.138699D+02 -0.100725D+02
                66            67            68            69            70 
      1  -0.319440D+01 -0.270288D+01 -0.659756D+00 -0.338864D+01 -0.145291D+01
      2   0.376684D+01 -0.191950D+00 -0.305729D+00  0.200165D+01 -0.192973D+01
      3  -0.186967D+01 -0.372473D+01  0.201528D+01  0.201925D+01 -0.371278D+01
                71            72            73            74            75 
      1   0.323064D+01  0.100555D+01 -0.129248D+01 -0.756611D+00 -0.736117D+00
      2   0.120021D+01 -0.106868D+01 -0.178143D+01 -0.172216D+01  0.125038D+01
      3   0.180975D+01  0.139012D+00  0.126603D+02  0.731388D+01  0.286791D+01
                76            77            78            79            80 
      1  -0.998709D-01  0.288433D+01 -0.581437D+01 -0.109248D+00  0.139177D+01
      2  -0.596087D+00 -0.706062D+00 -0.217825D+01 -0.326655D+01 -0.262856D+00
      3   0.841646D+01  0.758120D+01  0.221861D+00  0.490959D+01  0.370843D+01
                81            82            83            84            85 
      1  -0.174046D+01 -0.154437D+01  0.131728D+01 -0.762626D+00  0.231106D+00
      2  -0.175287D+01 -0.148785D-01 -0.928409D-01  0.367524D+01 -0.127679D+01
      3   0.178514D+01  0.239932D+02 -0.650370D+01  0.167257D+01  0.446751D+01
                86            87            88            89            90 
      1  -0.321398D+00 -0.760809D+01 -0.202461D+01 -0.239461D+01 -0.176810D+01
      2   0.129611D+00  0.239913D+00 -0.972681D+00  0.419944D+01  0.136977D+01
      3  -0.854261D+01 -0.895158D+00  0.481580D+01 -0.223081D+01 -0.331437D+01
                91            92            93            94            95 
      1   0.987200D+00  0.959722D+00  0.674328D+00  0.924289D+00  0.769574D+00
      2  -0.223320D+01 -0.556108D+00 -0.601829D+00 -0.139805D+01 -0.123758D+01
      3  -0.607210D+00 -0.197801D+00 -0.266413D+00  0.105316D+01  0.210839D+00
                96            97            98            99           100 
      1   0.647488D+00  0.632987D+00  0.338442D+01  0.225391D+01 -0.994639D+00
      2  -0.642740D+00 -0.343466D+01 -0.290305D+00 -0.445522D+01 -0.205053D+01
      3   0.817839D+00 -0.241319D+00  0.501527D+00 -0.264902D+00  0.140422D+00
               101           102           103           104           105 
      1   0.775148D+00 -0.804613D+00  0.757445D+00 -0.132328D+01  0.586233D+00
      2   0.448793D+00 -0.527694D+00  0.138732D+01 -0.855617D+00  0.626557D+00
      3  -0.790728D+00  0.287498D+00  0.891716D+00 -0.779371D+00  0.738281D+00
               106           107           108           109           110 
      1  -0.916124D+00  0.310983D+01 -0.278278D+01  0.135213D+01 -0.540967D+00
      2  -0.384914D+01  0.804058D+00 -0.426666D+01  0.302353D+00 -0.243667D+00
      3  -0.266598D+00  0.278484D+00 -0.239356D+00 -0.291683D+02  0.774386D+01
               111           112           113           114           115 
      1   0.114373D+01 -0.540151D+00  0.721718D-01 -0.623376D+00  0.534437D+00
      2  -0.292146D+01  0.122732D-01 -0.604574D-01  0.355218D+00 -0.288578D+01
      3  -0.132866D+01  0.470589D+01 -0.237676D+01  0.175953D+00 -0.407763D+01
               116           117           118           119           120 
      1   0.431185D+00  0.292979D+00  0.501852D+00 -0.439730D+00 -0.830524D+00
      2   0.391520D+00 -0.214932D+00 -0.225922D+00 -0.464459D-01  0.717427D+00
      3   0.116304D+01 -0.302545D+00 -0.474962D+01 -0.675151D+00 -0.586876D+00
               121           122           123           124           125 
      1  -0.369498D-01  0.221887D+01 -0.423366D+00  0.896711D-01  0.102348D+01
      2   0.829464D+00 -0.175637D+01  0.338257D+01  0.222790D+00  0.204937D+01
      3  -0.113838D+01 -0.211061D+02  0.221975D+01 -0.127786D+00  0.266772D+01
               126           127           128           129           130 
      1  -0.276687D+00 -0.315518D+01  0.146401D+01  0.194122D+01  0.148832D+01
      2  -0.397562D+00 -0.107194D+01  0.264755D+00 -0.731068D+00  0.618745D+00
      3  -0.123961D+01 -0.122286D+02  0.555968D+01  0.281642D+01  0.969770D+01
               131           132           133           134           135 
      1  -0.238090D+01 -0.299577D+01  0.357281D+00 -0.135230D+01 -0.627116D+00
      2  -0.349417D+00  0.732597D+00 -0.120996D+01  0.551942D+00  0.806479D+00
      3  -0.919393D+01 -0.121936D+01  0.378587D+01 -0.162972D+01 -0.107288D+01
               136           137           138           139           140 
      1   0.231474D+01 -0.340844D+00  0.306149D+01  0.187137D+00  0.821968D+00
      2   0.283196D+01  0.102001D+01  0.276148D+01  0.323336D-01  0.110290D+01
      3  -0.136722D+02 -0.987978D+01 -0.316579D+01 -0.252186D+01 -0.297373D+01
               141           142           143           144 
      1  -0.386729D+00  0.144151D+01  0.474460D+00  0.145370D+01
      2  -0.895533D+00  0.537351D+00 -0.129530D+01  0.725401D+00
      3  -0.133138D+01 -0.552404D+01 -0.353497D+01 -0.757763D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.223291D+02  0.120164D+01 -0.108869D+01 -0.166981D+01  0.232252D+02
      2   0.133991D+02 -0.435756D+01  0.240205D+01  0.149338D+01 -0.301612D+02
      3   0.893000D+01  0.315592D+01 -0.131336D+01  0.176422D+00  0.693601D+01
      4  -0.657822D+01  0.132512D+01 -0.119068D+01 -0.505513D+01  0.100159D+02
      5  -0.250948D+01 -0.231710D+01 -0.755579D+01  0.157195D+00  0.438614D+00
      6   0.405362D+00 -0.134550D+00 -0.474145D+01  0.609191D-01  0.158625D+01
                 6             7             8             9            10 
      1  -0.291066D+01 -0.971381D+01 -0.532618D+01 -0.293255D+01 -0.183798D+01
      2   0.168272D+00  0.687162D+01  0.416797D+01 -0.625164D+01  0.566962D+01
      3   0.274239D+01  0.284218D+01  0.115822D+01  0.918419D+01 -0.383164D+01
      4  -0.107543D+01  0.535310D+00 -0.180182D+01 -0.101697D+01 -0.401500D+01
      5  -0.215593D+01  0.297566D+01  0.110170D+01 -0.499650D+01  0.320041D-01
      6  -0.891874D+01 -0.652036D+00  0.208918D+01  0.362021D+01 -0.974676D+00
                11            12            13            14            15 
      1  -0.841421D+01  0.815788D+00 -0.136133D+02 -0.350386D+02  0.119158D+01
      2   0.715506D+01 -0.861715D+00  0.754123D+01  0.531821D+02 -0.876938D+00
      3   0.125915D+01  0.459273D-01  0.607205D+01 -0.181435D+02 -0.314645D+00
      4   0.153813D+02 -0.688134D+00  0.158202D+02 -0.287484D+02  0.143369D+01
      5  -0.124242D+00  0.510395D+01 -0.164343D+01 -0.140205D+00 -0.410393D+01
      6  -0.520675D+00  0.142964D+01 -0.889072D+00 -0.272936D+01  0.155806D+02
                16            17            18            19            20 
      1   0.300258D+01  0.377522D+01 -0.960430D+01  0.670018D+02  0.137428D+01
      2  -0.249733D+01 -0.268891D+01  0.686888D+01 -0.402363D+02 -0.657191D+00
      3  -0.505257D+00 -0.108631D+01  0.273542D+01 -0.267654D+02 -0.717086D+00
      4  -0.118260D+01  0.154603D+01 -0.759599D+01  0.774030D+00  0.100165D+02
      5   0.379605D+01 -0.851950D+01  0.248593D+01  0.478927D+01  0.161748D+01
      6   0.310003D+00  0.138248D+02 -0.411261D+01  0.847263D+00  0.475905D+00
                21            22            23            24            25 
      1   0.293989D+01 -0.829826D+01  0.395795D+01 -0.503393D+00  0.809402D+01
      2  -0.267093D+01  0.411373D+01 -0.654849D+00  0.861895D+00 -0.725357D+01
      3  -0.268965D+00  0.418453D+01 -0.330310D+01 -0.358502D+00 -0.840457D+00
      4   0.121350D+01  0.115101D+02 -0.161404D+02  0.336078D+01  0.190408D+01
      5   0.169579D+02 -0.325552D+00  0.344337D+01 -0.679741D+00  0.195094D+02
      6   0.131245D+01  0.689959D-01  0.113368D+00  0.418791D+01 -0.138349D+01
                26            27            28            29            30 
      1   0.143616D+01  0.101021D+02  0.644434D+00  0.522961D+01  0.162368D+01
      2  -0.541344D-01 -0.112132D+02  0.166853D+01 -0.565528D+01  0.405402D+01
      3  -0.138202D+01  0.111114D+01 -0.231297D+01  0.425673D+00 -0.567770D+01
      4   0.363028D+01 -0.500296D+00 -0.320200D+01 -0.271392D+01  0.127387D+00
      5   0.126455D+01  0.746036D+01 -0.114083D+01  0.185720D+01  0.581416D+00
      6   0.371461D+01 -0.263940D+00 -0.124781D+01  0.161709D+01 -0.351877D+01
                31            32            33            34            35 
      1   0.852981D+00 -0.575207D+00  0.391033D+01  0.269651D+01  0.246982D+01
      2   0.761416D+00 -0.218913D+01  0.329855D+01  0.332774D+01 -0.726767D+00
      3  -0.161440D+01  0.276433D+01 -0.720889D+01 -0.602425D+01 -0.174305D+01
      4  -0.914617D+01 -0.861830D+01  0.241166D+01 -0.161905D+01  0.321337D+01
      5   0.132969D+01  0.153378D+01 -0.365735D+01  0.177010D+01  0.184872D+01
      6   0.198096D+01  0.190321D+01 -0.459504D+01  0.329946D+01  0.111193D+01
                36            37            38            39            40 
      1   0.868776D+01  0.180734D+01 -0.638813D+01  0.276245D+01  0.377856D+00
      2   0.800832D+01 -0.135662D+01  0.461818D+01  0.212110D+01 -0.267397D+01
      3  -0.166961D+02 -0.450720D+00  0.176995D+01 -0.488356D+01  0.229612D+01
      4   0.510465D+01  0.104583D+01 -0.314534D+01 -0.376204D+00 -0.821867D+01
      5   0.854078D+00 -0.115460D+00 -0.133334D+01 -0.188166D+00 -0.100276D+01
      6  -0.108068D+01  0.106249D+01  0.572682D+00  0.436621D+01  0.325906D+01
                41            42            43            44            45 
      1  -0.273966D-01 -0.367742D+01  0.530248D+01 -0.307454D+01  0.886718D+01
      2  -0.314921D+01 -0.326171D+01  0.243281D+01 -0.108858D+01  0.667001D+01
      3   0.317660D+01  0.693913D+01 -0.773529D+01  0.416313D+01 -0.155372D+02
      4   0.234923D+01  0.280316D+01 -0.187406D+00  0.201988D+01 -0.595416D+01
      5   0.440327D+00  0.358261D+01  0.126372D+01 -0.234761D+01  0.760920D+00
      6  -0.209727D+01 -0.465741D+01 -0.329607D+01  0.163519D+01  0.802325D+00
                46            47            48            49            50 
      1  -0.474169D+02  0.305895D+01 -0.330781D+01  0.205821D+02  0.159288D+02
      2   0.310113D+02  0.183394D+01  0.534912D+01 -0.130246D+02 -0.194267D+02
      3   0.164055D+02 -0.489289D+01 -0.204131D+01 -0.755752D+01  0.349787D+01
      4   0.836296D+01 -0.119841D+02  0.221111D+00  0.360666D+01  0.273157D+01
      5  -0.600772D+01  0.129870D+01 -0.131780D+02  0.338983D+01  0.133613D+01
      6   0.300359D+00 -0.341240D+00  0.463243D+01  0.188461D+01 -0.237789D+00
                51            52            53            54            55 
      1   0.429986D+01 -0.115052D+02  0.482043D+01 -0.713517D+01  0.972453D+02
      2  -0.142709D+01  0.861567D+01 -0.238366D+01 -0.223263D+01 -0.584678D+02
      3  -0.287277D+01  0.288956D+01 -0.243677D+01  0.936781D+01 -0.387775D+02
      4   0.118036D+01  0.205046D+01 -0.386312D+01  0.256952D+01 -0.510879D+01
      5   0.632814D+01  0.110737D+01  0.114816D+01 -0.716044D+01  0.932332D+01
      6  -0.776313D+01  0.733537D-02  0.260062D+01 -0.227280D+01 -0.106002D+01
                56            57            58            59            60 
      1  -0.929673D+01  0.564986D+01 -0.125454D+02  0.793236D+01 -0.180966D+01
      2   0.650676D+01 -0.546799D+01  0.900004D+01 -0.105814D+01  0.143340D+01
      3   0.278996D+01 -0.181872D+00  0.354539D+01 -0.687422D+01  0.376261D+00
      4   0.247479D+02 -0.469050D+00  0.183861D+02 -0.766799D+01  0.226511D+01
      5  -0.135919D+01  0.239923D+02 -0.228133D+01  0.223074D+01 -0.527339D+01
      6   0.141044D+01 -0.152665D+01  0.107946D+01  0.850427D-02  0.564414D+01
                61            62            63            64            65 
      1   0.101252D+02 -0.243281D+01  0.148652D+02  0.138645D+02 -0.100912D+02
      2  -0.938666D+01  0.153660D+01 -0.146066D+02 -0.641271D+01  0.176819D+02
      3  -0.738507D+00  0.896209D+00 -0.258604D+00 -0.745180D+01 -0.759075D+01
      4  -0.264296D+01  0.495844D+01 -0.159048D+01  0.165090D+02  0.150265D+02
      5   0.254785D+02 -0.312091D+01  0.117091D+02 -0.267807D+01 -0.157667D+01
      6   0.165441D+01  0.428649D+01  0.298912D+00 -0.326222D+01 -0.374481D+01
                66            67            68            69            70 
      1   0.572461D+00 -0.575285D+01 -0.215238D+01  0.122508D+01 -0.586874D+00
      2  -0.114484D+01  0.893567D+01  0.841318D+01 -0.341725D+01  0.157480D+01
      3   0.572378D+00 -0.318282D+01 -0.626079D+01  0.219216D+01 -0.987926D+00
      4  -0.314570D+01  0.144354D+02  0.189304D+02 -0.217425D+01 -0.170488D+01
      5   0.738603D+01 -0.108753D+01 -0.428533D+01  0.397169D+01  0.548949D+01
      6   0.509317D+01 -0.188357D+01 -0.514803D+01  0.971734D+01  0.352573D+01
                71            72            73            74            75 
      1   0.494526D+01 -0.428848D+01 -0.359065D+01 -0.251597D+01 -0.266033D+01
      2  -0.340215D+01 -0.690219D+00  0.310084D+01  0.206442D+01  0.139357D-01
      3  -0.154311D+01  0.497870D+01  0.489810D+00  0.451546D+00  0.264640D+01
      4  -0.278356D+01  0.467672D+01  0.396723D+01 -0.789091D+00  0.204899D+01
      5   0.305370D+01 -0.342717D+01 -0.227412D+01 -0.548826D-02  0.492355D+01
      6   0.764409D+01 -0.401724D+01  0.332921D+01 -0.101789D+01 -0.117664D+00
                76            77            78            79            80 
      1  -0.206047D+01 -0.184548D+02 -0.211394D+01 -0.190091D+01 -0.555287D+01
      2  -0.556197D+00  0.286955D+02  0.300763D+01  0.129070D+01  0.454340D+01
      3   0.261667D+01 -0.102407D+02 -0.893696D+00  0.610212D+00  0.100947D+01
      4   0.131776D+02 -0.189415D+02 -0.465445D+01  0.501602D+01 -0.615581D+01
      5   0.189380D+01 -0.389146D+01 -0.538760D+01  0.442156D+01 -0.322628D+01
      6  -0.350808D+01  0.763230D+01  0.121814D+02 -0.171405D+01  0.886373D+01
                81            82            83            84            85 
      1  -0.688660D+01  0.113847D+02  0.383911D+01  0.154180D+01 -0.341481D+01
      2   0.168310D+01 -0.341752D+01 -0.134838D+01 -0.148135D+01  0.328238D+01
      3   0.520350D+01 -0.796718D+01 -0.249073D+01 -0.604483D-01  0.132422D+00
      4  -0.336537D+01  0.201838D+02  0.206144D+02  0.144431D+01  0.802319D+01
      5  -0.406621D+01  0.115653D+01  0.266094D+00  0.695516D+01 -0.930393D+00
      6   0.564401D+01  0.313445D+01 -0.393665D+00  0.211930D+00 -0.205638D+01
                86            87            88            89            90 
      1  -0.249669D+02 -0.203331D+01  0.157721D+01 -0.292200D+01 -0.748828D+01
      2   0.388385D+02  0.129181D+01 -0.159863D+01  0.193270D+01  0.452038D+01
      3  -0.138716D+02  0.741503D+00  0.214210D-01  0.989303D+00  0.296791D+01
      4   0.196008D+02 -0.385910D+00  0.230499D+01  0.201793D+01  0.666289D+01
      5  -0.883304D+00  0.127675D+01  0.428777D+01  0.668771D+01  0.152555D+01
      6   0.108006D+01  0.132247D+02  0.734503D-01  0.121989D+02  0.270654D+01
                91            92            93            94            95 
      1  -0.195020D+01 -0.882483D+00 -0.323567D+01 -0.177654D+01 -0.278588D+01
      2  -0.365691D+01 -0.368319D+00 -0.229198D+01 -0.453161D+00 -0.101066D+01
      3   0.560711D+01  0.125080D+01  0.552765D+01  0.222970D+01  0.379655D+01
      4  -0.100029D+01  0.113777D+01 -0.812008D+00  0.240002D+01 -0.439133D+00
      5   0.171128D+01  0.204696D+00  0.492411D+01  0.408619D+00 -0.251378D+00
      6   0.318452D+00  0.747672D+00 -0.139868D+00  0.771506D+00  0.128876D+01
                96            97            98            99           100 
      1  -0.215341D+01 -0.332327D+01 -0.525629D+00 -0.184061D+02 -0.245009D+01
      2  -0.295796D+01 -0.303403D+01 -0.263618D+01 -0.155331D+02 -0.298248D+01
      3   0.511136D+01  0.635730D+01  0.316181D+01  0.339392D+02  0.543257D+01
      4  -0.994152D+00 -0.395736D+00 -0.273473D+01 -0.128572D+01  0.133506D+01
      5  -0.751339D-01  0.439409D+01 -0.181183D+00 -0.226529D+01  0.164260D+01
      6   0.578652D+01 -0.171421D+00  0.451231D+01 -0.727084D+00 -0.232470D+00
               101           102           103           104           105 
      1   0.137297D+01 -0.344017D+01  0.214233D+01 -0.251117D+01  0.247824D+01
      2   0.172446D+00 -0.196398D+01  0.371190D+00 -0.134341D+01  0.288155D+01
      3  -0.154542D+01  0.540415D+01 -0.251352D+01  0.385459D+01 -0.535979D+01
      4   0.188409D+01  0.813749D+00  0.237032D+01  0.105551D+01 -0.125497D+01
      5  -0.343530D+00  0.503218D+01 -0.581500D+00 -0.848386D-01  0.253739D+00
      6   0.840374D+00 -0.306682D-01  0.848780D+00 -0.160415D+01  0.559976D+01
               106           107           108           109           110 
      1  -0.505298D+01  0.122795D+01 -0.188769D+02 -0.122561D+02  0.390746D+01
      2  -0.263299D+01  0.302707D+01 -0.142901D+02  0.612974D+01 -0.501138D+01
      3   0.768597D+01 -0.425501D+01  0.331670D+02  0.612639D+01  0.110392D+01
      4   0.822633D+00 -0.240683D+01  0.201188D+01 -0.163451D+02 -0.127098D+02
      5   0.419927D+01  0.109009D+00 -0.199546D+01 -0.106754D+01  0.902971D-01
      6   0.629433D+00  0.448598D+01  0.809820D+00 -0.255301D+01 -0.552060D+00
               111           112           113           114           115 
      1  -0.267974D-01  0.194644D+01 -0.639834D+01  0.726313D-01 -0.114933D+01
      2   0.755480D-01 -0.177674D+01  0.871088D+01 -0.200510D+00  0.580880D+00
      3  -0.487506D-01 -0.169692D+00 -0.231254D+01  0.127878D+00  0.568448D+00
      4  -0.973847D+00  0.106178D+01  0.191269D+01  0.119786D+00 -0.217850D+01
      5  -0.513435D+01  0.106546D+00 -0.294593D+00  0.625854D+00  0.263824D+00
      6  -0.140431D+01  0.989671D-01 -0.149598D+00  0.188616D+01 -0.353174D+00
               116           117           118           119           120 
      1   0.580329D+00 -0.249471D+01  0.780039D+01  0.661251D+01 -0.502298D+00
      2  -0.846258D+00  0.962332D+00 -0.290305D+01 -0.267469D+01  0.795998D+00
      3   0.265929D+00  0.153238D+01 -0.489734D+01 -0.393781D+01 -0.293700D+00
      4  -0.147732D+01  0.273122D+00  0.770235D+01  0.555589D+01 -0.253114D-01
      5   0.667399D+00 -0.363663D+00 -0.863071D+00  0.924528D-01  0.206988D+01
      6   0.285816D+01 -0.394357D+00 -0.349871D+00  0.237895D+00  0.116969D+01
               121           122           123           124           125 
      1   0.211443D+02  0.399829D+01  0.174054D+01 -0.286421D+01 -0.101541D+00
      2  -0.116703D+02 -0.606734D+00 -0.185598D+01  0.178273D+01 -0.414431D-01
      3  -0.947404D+01 -0.339156D+01  0.115438D+00  0.108148D+01  0.142984D+00
      4   0.857818D+01  0.233552D+02 -0.998289D+00  0.250662D+00 -0.170511D+01
      5   0.228039D+01 -0.139898D+01  0.514626D+01  0.401654D+01  0.301477D+01
      6   0.135850D+01  0.927447D+00  0.343975D+00  0.761041D+00  0.174460D+01
               126           127           128           129           130 
      1   0.137764D+01 -0.505769D+01  0.851543D+01 -0.116888D+01  0.613915D+01
      2  -0.135729D+01  0.440912D+01 -0.118173D+02 -0.310061D+00 -0.562760D+01
      3  -0.203468D-01  0.648568D+00  0.330186D+01  0.147894D+01 -0.511552D+00
      4   0.312971D+01 -0.580798D+01 -0.990950D+00  0.154214D+01  0.476591D+01
      5  -0.158623D+00  0.121409D+01 -0.701085D+00 -0.139775D+01 -0.111708D+01
      6   0.541174D+00  0.159212D+01  0.254015D+01 -0.187215D+01 -0.733530D+00
               131           132           133           134           135 
      1  -0.180096D+02  0.275120D+00  0.224402D+01 -0.195510D+01 -0.279572D+01
      2   0.270762D+02  0.659029D+00 -0.133450D+01  0.308501D+01  0.292613D+01
      3  -0.906656D+01 -0.934149D+00 -0.909520D+00 -0.112992D+01 -0.130415D+00
      4   0.447523D+01 -0.840737D+00  0.138562D+01  0.158784D+01  0.782030D-01
      5   0.600894D+00  0.184101D+01  0.951955D+00  0.681176D+00  0.131943D+01
      6  -0.196878D+01  0.457171D+01 -0.391453D+00  0.451900D+01  0.849133D-01
               136           137           138           139           140 
      1   0.139657D+02  0.253064D+01  0.282897D+01 -0.408069D+01  0.354675D+01
      2  -0.436757D+01 -0.816959D+01 -0.271055D+00  0.337416D+00 -0.654449D+00
      3  -0.959812D+01  0.563895D+01 -0.255791D+01  0.374327D+01 -0.289230D+01
      4  -0.177825D+02  0.151403D+02 -0.220466D+00  0.590361D+01 -0.383050D+01
      5  -0.734609D+00  0.184350D+01  0.320035D+01 -0.596480D+00  0.120624D+01
      6  -0.130963D+01 -0.173731D+01 -0.486398D+01  0.137047D+00 -0.109517D+01
               141           142           143           144 
      1   0.335217D+00  0.140249D+01  0.296232D+01  0.122703D+01
      2  -0.258347D+00 -0.391376D+00 -0.409784D+01 -0.124617D+01
      3  -0.768701D-01 -0.101112D+01  0.113552D+01  0.191343D-01
      4   0.128185D+01 -0.435864D+01  0.395452D+01 -0.319771D+01
      5  -0.169298D+01  0.369386D+01 -0.214096D+01  0.796150D+00
      6   0.882897D+00 -0.225872D+01  0.240681D+01 -0.212942D+01
 Leave Link  716 at Fri Jul 16 13:26:58 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.876191D+02  0.404474D-01  0.247819D+01
      2   0.404474D-01  0.784964D+02 -0.490228D+00
      3   0.247819D+01 -0.490228D+00  0.536728D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.443222D+01 -0.826193D+00 -0.508104D+01
      2  -0.167840D+01 -0.504819D+01 -0.331170D+01
      3  -0.139552D+02 -0.106454D+01  0.123258D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.109539D+02  0.212700D+02 -0.436791D+01
      2   0.484495D+01 -0.120700D+02  0.361749D+01
      3   0.610893D+01 -0.920006D+01  0.750423D+00
      4   0.185187D+02 -0.298837D+01 -0.113106D+02
      5  -0.418642D+01 -0.915601D+01 -0.324243D+01
      6  -0.799897D+01  0.615190D+00  0.848827D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.275678D+01 -0.843386D+00 -0.109125D+00  0.298473D+01  0.956303D+00
      2  -0.843386D+00  0.225248D+01 -0.300263D+00  0.956303D+00  0.552079D+01
      3  -0.109125D+00 -0.300263D+00  0.466796D+00 -0.281990D+00 -0.377112D+00
                 6             7             8             9            10 
      1  -0.281990D+00 -0.237461D+01  0.677184D+00  0.333553D+00 -0.238747D+01
      2  -0.377112D+00  0.677184D+00 -0.104795D+01 -0.147297D+00 -0.185928D+01
      3  -0.752810D-02  0.333553D+00 -0.147297D+00 -0.840295D+00  0.236168D+00
                11            12            13            14            15 
      1  -0.185928D+01  0.236168D+00 -0.610855D+01  0.181694D+00 -0.221864D-01
      2  -0.952797D+00  0.109540D+00  0.181694D+00 -0.119098D+02  0.677094D+00
      3   0.109540D+00 -0.490999D+00 -0.221864D-01  0.677094D+00 -0.198696D+01
                16            17            18            19            20 
      1   0.107784D+01 -0.374470D-01 -0.256909D+00  0.955396D+01  0.178725D+00
      2  -0.374470D-01  0.923752D+00 -0.262027D+01  0.178725D+00  0.605753D+00
      3  -0.256909D+00 -0.262027D+01  0.936893D+00  0.564442D+00  0.164900D+00
                21            22            23            24            25 
      1   0.564442D+00 -0.193141D+01  0.996726D+00 -0.178199D+00  0.212951D+01
      2   0.164900D+00  0.996726D+00 -0.348653D+01  0.696892D+00 -0.262103D+00
      3   0.116417D+01 -0.178199D+00  0.696892D+00 -0.133839D+00  0.230319D+01
                26            27            28            29            30 
      1  -0.262103D+00  0.230319D+01  0.613523D+01 -0.131864D+01 -0.595818D+00
      2   0.933023D+00  0.422271D+00 -0.131864D+01 -0.468627D+00  0.432931D+00
      3   0.422271D+00  0.971397D+00 -0.595818D+00  0.432931D+00  0.225744D+01
                31            32            33            34            35 
      1  -0.123228D+01 -0.186505D+01  0.100066D+01 -0.287909D+01  0.673063D+00
      2  -0.186505D+01 -0.140618D+01  0.380784D+00  0.673063D+00  0.206405D+00
      3   0.100066D+01  0.380784D+00  0.171789D+01  0.293898D+01  0.417061D+00
                36            37            38            39            40 
      1   0.293898D+01 -0.613288D+01  0.176703D+01  0.517036D+00 -0.276782D+00
      2   0.417061D+00  0.176703D+01  0.936845D+00  0.589090D+00  0.180472D+01
      3   0.500494D+01  0.517036D+00  0.589090D+00 -0.204764D+01  0.110861D+01
                41            42            43            44            45 
      1   0.180472D+01  0.110861D+01  0.304771D+01 -0.132218D+00 -0.287141D+01
      2  -0.140531D+00 -0.182536D+00 -0.132218D+00  0.381815D+00  0.127372D+01
      3  -0.182536D+00  0.182693D+01 -0.287141D+01  0.127372D+01 -0.482266D+01
                46            47            48            49            50 
      1   0.761011D+01 -0.223218D+01  0.918606D+00 -0.491353D+01 -0.122275D+01
      2  -0.223218D+01  0.127182D+01 -0.415738D-01 -0.122275D+01  0.439383D+00
      3   0.918606D+00 -0.415738D-01  0.702103D+00 -0.879457D+00 -0.191393D+00
                51            52            53            54            55 
      1  -0.879457D+00  0.182185D+01 -0.916142D-01  0.311780D+00 -0.152380D+02
      2  -0.191393D+00 -0.916142D-01  0.769694D+00 -0.761299D+00  0.174272D+01
      3  -0.124099D+01  0.311780D+00 -0.761299D+00  0.888839D+00 -0.129758D+01
                56            57            58            59            60 
      1   0.174272D+01 -0.129758D+01  0.275592D+01 -0.222850D+01  0.348346D+00
      2  -0.393181D+01  0.472309D-01 -0.222850D+01  0.224609D+01 -0.289805D+00
      3   0.472309D-01 -0.231236D+01  0.348346D+00 -0.289805D+00  0.102867D+01
                61            62            63            64            65 
      1  -0.228636D+01  0.159633D+00 -0.341284D+01  0.510265D+01  0.126176D+01
      2   0.159633D+00 -0.100250D+01  0.743123D+00  0.126176D+01  0.418663D+01
      3  -0.341284D+01  0.743123D+00 -0.169899D+01 -0.701210D+00 -0.546253D+00
                66            67            68            69            70 
      1  -0.701210D+00  0.168149D+00  0.289417D+01 -0.372724D+00 -0.686461D+00
      2  -0.546253D+00  0.289417D+01  0.254178D+01 -0.108324D+01 -0.318628D-01
      3   0.444174D+00 -0.372724D+00 -0.108324D+01 -0.259448D+00  0.727402D+00
                71            72            73            74            75 
      1  -0.318628D-01  0.727402D+00  0.270049D+01  0.113655D+01  0.657243D+00
      2  -0.118885D+01  0.125530D+01  0.113655D+01  0.204785D+01 -0.209161D+00
      3   0.125530D+01 -0.747213D+00  0.657243D+00 -0.209161D+00  0.941073D+00
                76            77            78            79            80 
      1   0.162374D+01 -0.786997D+00 -0.753281D+00  0.142672D+01 -0.494947D+00
      2  -0.786997D+00  0.609787D+01  0.134321D+01 -0.494947D+00  0.195686D+01
      3  -0.753281D+00  0.134321D+01  0.508987D+00 -0.367331D+00  0.158262D+01
                81            82            83            84            85 
      1  -0.367331D+00 -0.832458D+01 -0.133036D+01 -0.720326D+00  0.112590D+01
      2   0.158262D+01 -0.133036D+01 -0.162851D+01 -0.674961D-01 -0.618282D+00
      3   0.115914D+01 -0.720326D+00 -0.674961D-01 -0.222271D+00  0.423511D+00
                86            87            88            89            90 
      1  -0.618282D+00  0.423511D+00 -0.134007D+01  0.589508D-01 -0.214112D-02
      2  -0.746224D+01 -0.286860D+00  0.589508D-01 -0.798468D+00 -0.195120D+01
      3  -0.286860D+00 -0.972910D+00 -0.214112D-02 -0.195120D+01 -0.501643D+00
                91            92            93            94            95 
      1  -0.204179D+01 -0.235802D+00 -0.119222D+01 -0.371854D+00  0.178565D+00
      2  -0.235802D+00 -0.357871D+00 -0.115122D+00  0.178565D+00 -0.519426D+00
      3  -0.119222D+01 -0.115122D+00 -0.171908D+01 -0.325531D+00 -0.125667D+01
                96            97            98            99           100 
      1  -0.325531D+00 -0.150943D+01 -0.410157D+00 -0.113192D+01  0.206836D+01
      2  -0.125667D+01 -0.410157D+00 -0.177492D+01 -0.555471D+00 -0.515308D+00
      3  -0.105167D+01 -0.113192D+01 -0.555471D+00 -0.758279D+01  0.121999D+01
               101           102           103           104           105 
      1  -0.515308D+00  0.121999D+01 -0.633398D+00 -0.149670D+00 -0.308278D+00
      2   0.101821D+00 -0.189916D+00 -0.149670D+00 -0.574999D+00  0.124357D+01
      3  -0.189916D+00  0.166449D+01 -0.308278D+00  0.124357D+01 -0.115353D+01
               106           107           108           109           110 
      1   0.152337D+01 -0.248843D+00  0.139217D+01  0.910406D+01 -0.568135D+00
      2  -0.248843D+00  0.159726D+01 -0.791513D+00 -0.568135D+00  0.143708D+01
      3   0.139217D+01 -0.791513D+00  0.748093D+01  0.455813D+00  0.201112D+00
               111           112           113           114           115 
      1   0.455813D+00 -0.614802D+00  0.371603D+00 -0.399874D-01  0.131015D+01
      2   0.201112D+00  0.371603D+00 -0.190894D+01  0.503605D-01 -0.104694D+00
      3   0.377084D+00 -0.399874D-01  0.503605D-01 -0.567528D+00  0.191042D-01
               116           117           118           119           120 
      1  -0.104694D+00  0.191042D-01  0.178462D+01  0.135512D+01 -0.132775D+00
      2   0.305337D+00 -0.567317D+00  0.135512D+01  0.716964D+00  0.116506D+00
      3  -0.567317D+00  0.785627D-01 -0.132775D+00  0.116506D+00  0.625427D+00
               121           122           123           124           125 
      1   0.403731D+01  0.118312D+01  0.499163D+00 -0.403375D+00  0.111459D+00
      2   0.118312D+01  0.467382D+01 -0.354482D+00  0.111459D+00 -0.415662D+00
      3   0.499163D+00 -0.354482D+00  0.803058D+00  0.652110D+00  0.475878D+00
               126           127           128           129           130 
      1   0.652110D+00 -0.233192D+01  0.548759D+00  0.602040D+00  0.236917D+01
      2   0.475878D+00  0.548759D+00 -0.244818D+01  0.107006D+00 -0.678993D+00
      3   0.111351D+00  0.602040D+00  0.107006D+00 -0.518420D+00 -0.286409D+00
               131           132           133           134           135 
      1  -0.678993D+00 -0.286409D+00  0.724821D+00 -0.442345D-01 -0.478039D-01
      2   0.553167D+01 -0.491177D-01 -0.442345D-01  0.568971D+00  0.817416D+00
      3  -0.491177D-01  0.116995D+01 -0.478039D-01  0.817416D+00 -0.256076D-01
               136           137           138           139           140 
      1  -0.484601D+01  0.912436D+00 -0.422279D+00  0.101768D+01 -0.101666D+01
      2   0.912436D+00 -0.376945D+01 -0.298531D+00 -0.101666D+01  0.357279D+00
      3  -0.422279D+00 -0.298531D+00 -0.133198D+01  0.677542D-01 -0.320694D+00
               141           142           143           144 
      1   0.677542D-01 -0.158260D+01  0.177830D+00 -0.587938D+00
      2  -0.320694D+00  0.177830D+00 -0.141477D+01  0.406978D+00
      3   0.318904D+00 -0.587938D+00  0.406978D+00 -0.412854D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.142794D-01 -0.179094D+01  0.121832D+01 -0.377594D+01  0.262591D+01
      2   0.348365D+01 -0.311760D+01 -0.462219D+01 -0.498715D+01  0.405738D+00
      3   0.452975D+00 -0.401672D+01  0.239449D+01 -0.706810D+01 -0.682409D+01
                 6             7             8             9            10 
      1   0.802087D+01 -0.317280D+00  0.955587D+01 -0.284548D+01  0.293633D+00
      2   0.138608D+00 -0.141399D+02  0.221480D+01 -0.465690D+01 -0.304695D+00
      3   0.203905D+01  0.499522D+01  0.307338D+01 -0.139112D+01  0.605940D+01
                11            12            13            14            15 
      1   0.345067D+00 -0.500772D+00 -0.512227D-01  0.416037D+00 -0.107062D+02
      2   0.677087D+00  0.321100D+01  0.804861D+00  0.969630D+00 -0.179876D+01
      3  -0.128876D+01 -0.109253D+01  0.178568D+02  0.180851D+02 -0.119674D+01
                16            17            18            19            20 
      1   0.138172D+01 -0.461710D+00  0.227498D+01  0.731521D+00  0.610541D+00
      2  -0.237777D+01 -0.537118D+01  0.215665D+01  0.973351D+00  0.671478D+00
      3  -0.290667D+01 -0.132442D+01  0.524508D+01 -0.293554D+01 -0.897032D+01
                21            22            23            24            25 
      1  -0.496551D+00  0.847148D+00 -0.178251D+01 -0.209768D+01  0.180422D+01
      2   0.884322D+01  0.101163D+01  0.208495D+01 -0.148277D+01  0.517692D+01
      3  -0.729701D+00 -0.252852D+00  0.152417D+02 -0.287872D+01 -0.125556D+01
                26            27            28            29            30 
      1   0.175685D+01  0.417172D+00  0.523995D+00  0.108022D+01  0.194106D+01
      2  -0.153609D+01  0.364680D+01 -0.311452D+01  0.958404D+00  0.368167D+01
      3  -0.443908D+01 -0.171956D+01  0.802431D+00 -0.366686D+01  0.249215D-01
                31            32            33            34            35 
      1   0.335251D+01  0.259862D+00 -0.228991D+01 -0.228809D+01  0.265289D+01
      2   0.296976D+01 -0.364082D+00 -0.185955D+01 -0.318876D+01  0.991736D+00
      3   0.478253D+01  0.202513D+01 -0.113585D+01 -0.150814D+01 -0.369067D+00
                36            37            38            39            40 
      1  -0.174230D+01 -0.876662D+00  0.221091D+01 -0.161595D+01  0.104840D+01
      2   0.373474D+01 -0.171805D+01 -0.664341D+00  0.306394D+01 -0.251543D+01
      3  -0.146845D+00  0.965495D+00 -0.162341D+01 -0.237785D+00  0.622741D+01
                41            42            43            44            45 
      1  -0.102120D+00 -0.190985D+01  0.150005D+01  0.213905D+01  0.241784D+01
      2  -0.884550D+00  0.115620D+01 -0.379913D+01 -0.217591D+01  0.337354D+01
      3   0.720051D+00  0.613887D+00  0.249263D+01 -0.991080D+00  0.685602D+00
                46            47            48            49            50 
      1   0.511643D+00 -0.514596D+01 -0.187240D+01 -0.412823D+01 -0.283662D+01
      2   0.380924D+01  0.280572D+01 -0.860346D+01  0.482073D+01  0.196327D+01
      3  -0.494890D+01  0.886703D+01 -0.115637D+01  0.287345D+01 -0.398074D+01
                51            52            53            54            55 
      1   0.572896D+01  0.209913D+01  0.127656D+02  0.235987D+01 -0.130974D+01
      2   0.246298D+01 -0.138716D+02 -0.232269D+01 -0.553875D+01  0.636499D+00
      3   0.185676D+01 -0.240799D+01  0.608591D+01 -0.851119D+00  0.934549D+01
                56            57            58            59            60 
      1   0.237790D+01  0.833801D+00  0.126062D+01 -0.416971D+00 -0.357617D+01
      2  -0.591134D+00  0.138731D+02 -0.152165D+01 -0.136234D+00 -0.223869D+01
      3  -0.210465D+02  0.615147D+00 -0.245759D+01  0.991842D+01 -0.806456D+00
                61            62            63            64            65 
      1  -0.271201D+01  0.154031D+01 -0.938228D+00  0.194208D+01 -0.212573D+01
      2   0.517946D+01  0.830841D+00  0.529924D+01  0.171638D+01 -0.571255D-01
      3   0.102941D+01 -0.476909D+01  0.344522D+01  0.138699D+02 -0.100725D+02
                66            67            68            69            70 
      1  -0.319440D+01 -0.270288D+01 -0.659756D+00 -0.338864D+01 -0.145291D+01
      2   0.376684D+01 -0.191950D+00 -0.305729D+00  0.200165D+01 -0.192973D+01
      3  -0.186967D+01 -0.372473D+01  0.201528D+01  0.201925D+01 -0.371278D+01
                71            72            73            74            75 
      1   0.323064D+01  0.100555D+01 -0.129248D+01 -0.756611D+00 -0.736117D+00
      2   0.120021D+01 -0.106868D+01 -0.178143D+01 -0.172216D+01  0.125038D+01
      3   0.180975D+01  0.139012D+00  0.126603D+02  0.731388D+01  0.286791D+01
                76            77            78            79            80 
      1  -0.998709D-01  0.288433D+01 -0.581437D+01 -0.109248D+00  0.139177D+01
      2  -0.596087D+00 -0.706062D+00 -0.217825D+01 -0.326655D+01 -0.262856D+00
      3   0.841646D+01  0.758120D+01  0.221861D+00  0.490959D+01  0.370843D+01
                81            82            83            84            85 
      1  -0.174046D+01 -0.154437D+01  0.131728D+01 -0.762626D+00  0.231106D+00
      2  -0.175287D+01 -0.148785D-01 -0.928409D-01  0.367524D+01 -0.127679D+01
      3   0.178514D+01  0.239932D+02 -0.650370D+01  0.167257D+01  0.446751D+01
                86            87            88            89            90 
      1  -0.321398D+00 -0.760809D+01 -0.202461D+01 -0.239461D+01 -0.176810D+01
      2   0.129611D+00  0.239913D+00 -0.972681D+00  0.419944D+01  0.136977D+01
      3  -0.854261D+01 -0.895158D+00  0.481580D+01 -0.223081D+01 -0.331437D+01
                91            92            93            94            95 
      1   0.987200D+00  0.959722D+00  0.674328D+00  0.924289D+00  0.769574D+00
      2  -0.223320D+01 -0.556108D+00 -0.601829D+00 -0.139805D+01 -0.123758D+01
      3  -0.607210D+00 -0.197801D+00 -0.266413D+00  0.105316D+01  0.210839D+00
                96            97            98            99           100 
      1   0.647488D+00  0.632987D+00  0.338442D+01  0.225391D+01 -0.994639D+00
      2  -0.642740D+00 -0.343466D+01 -0.290305D+00 -0.445522D+01 -0.205053D+01
      3   0.817839D+00 -0.241319D+00  0.501527D+00 -0.264902D+00  0.140422D+00
               101           102           103           104           105 
      1   0.775148D+00 -0.804613D+00  0.757445D+00 -0.132328D+01  0.586233D+00
      2   0.448793D+00 -0.527694D+00  0.138732D+01 -0.855617D+00  0.626557D+00
      3  -0.790728D+00  0.287498D+00  0.891716D+00 -0.779371D+00  0.738281D+00
               106           107           108           109           110 
      1  -0.916124D+00  0.310983D+01 -0.278278D+01  0.135213D+01 -0.540967D+00
      2  -0.384914D+01  0.804058D+00 -0.426666D+01  0.302353D+00 -0.243667D+00
      3  -0.266598D+00  0.278484D+00 -0.239356D+00 -0.291683D+02  0.774386D+01
               111           112           113           114           115 
      1   0.114373D+01 -0.540151D+00  0.721718D-01 -0.623376D+00  0.534437D+00
      2  -0.292146D+01  0.122732D-01 -0.604574D-01  0.355218D+00 -0.288578D+01
      3  -0.132866D+01  0.470589D+01 -0.237676D+01  0.175953D+00 -0.407763D+01
               116           117           118           119           120 
      1   0.431185D+00  0.292979D+00  0.501852D+00 -0.439730D+00 -0.830524D+00
      2   0.391520D+00 -0.214932D+00 -0.225922D+00 -0.464459D-01  0.717427D+00
      3   0.116304D+01 -0.302545D+00 -0.474962D+01 -0.675151D+00 -0.586876D+00
               121           122           123           124           125 
      1  -0.369498D-01  0.221887D+01 -0.423366D+00  0.896711D-01  0.102348D+01
      2   0.829464D+00 -0.175637D+01  0.338257D+01  0.222790D+00  0.204937D+01
      3  -0.113838D+01 -0.211061D+02  0.221975D+01 -0.127786D+00  0.266772D+01
               126           127           128           129           130 
      1  -0.276687D+00 -0.315518D+01  0.146401D+01  0.194122D+01  0.148832D+01
      2  -0.397562D+00 -0.107194D+01  0.264755D+00 -0.731068D+00  0.618745D+00
      3  -0.123961D+01 -0.122286D+02  0.555968D+01  0.281642D+01  0.969770D+01
               131           132           133           134           135 
      1  -0.238090D+01 -0.299577D+01  0.357281D+00 -0.135230D+01 -0.627116D+00
      2  -0.349417D+00  0.732597D+00 -0.120996D+01  0.551942D+00  0.806479D+00
      3  -0.919393D+01 -0.121936D+01  0.378587D+01 -0.162972D+01 -0.107288D+01
               136           137           138           139           140 
      1   0.231474D+01 -0.340844D+00  0.306149D+01  0.187137D+00  0.821968D+00
      2   0.283196D+01  0.102001D+01  0.276148D+01  0.323336D-01  0.110290D+01
      3  -0.136722D+02 -0.987978D+01 -0.316579D+01 -0.252186D+01 -0.297373D+01
               141           142           143           144 
      1  -0.386729D+00  0.144151D+01  0.474460D+00  0.145370D+01
      2  -0.895533D+00  0.537351D+00 -0.129530D+01  0.725401D+00
      3  -0.133138D+01 -0.552404D+01 -0.353497D+01 -0.757763D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.223291D+02  0.120164D+01 -0.108869D+01 -0.166981D+01  0.232252D+02
      2   0.133991D+02 -0.435756D+01  0.240205D+01  0.149338D+01 -0.301612D+02
      3   0.893000D+01  0.315592D+01 -0.131336D+01  0.176422D+00  0.693601D+01
      4  -0.657822D+01  0.132512D+01 -0.119068D+01 -0.505513D+01  0.100159D+02
      5  -0.250948D+01 -0.231710D+01 -0.755579D+01  0.157195D+00  0.438614D+00
      6   0.405362D+00 -0.134550D+00 -0.474145D+01  0.609191D-01  0.158625D+01
                 6             7             8             9            10 
      1  -0.291066D+01 -0.971381D+01 -0.532618D+01 -0.293255D+01 -0.183798D+01
      2   0.168272D+00  0.687162D+01  0.416797D+01 -0.625164D+01  0.566962D+01
      3   0.274239D+01  0.284218D+01  0.115822D+01  0.918419D+01 -0.383164D+01
      4  -0.107543D+01  0.535310D+00 -0.180182D+01 -0.101697D+01 -0.401500D+01
      5  -0.215593D+01  0.297566D+01  0.110170D+01 -0.499650D+01  0.320041D-01
      6  -0.891874D+01 -0.652036D+00  0.208918D+01  0.362021D+01 -0.974676D+00
                11            12            13            14            15 
      1  -0.841421D+01  0.815788D+00 -0.136133D+02 -0.350386D+02  0.119158D+01
      2   0.715506D+01 -0.861715D+00  0.754123D+01  0.531821D+02 -0.876938D+00
      3   0.125915D+01  0.459273D-01  0.607205D+01 -0.181435D+02 -0.314645D+00
      4   0.153813D+02 -0.688134D+00  0.158202D+02 -0.287484D+02  0.143369D+01
      5  -0.124242D+00  0.510395D+01 -0.164343D+01 -0.140205D+00 -0.410393D+01
      6  -0.520675D+00  0.142964D+01 -0.889072D+00 -0.272936D+01  0.155806D+02
                16            17            18            19            20 
      1   0.300258D+01  0.377522D+01 -0.960430D+01  0.670018D+02  0.137428D+01
      2  -0.249733D+01 -0.268891D+01  0.686888D+01 -0.402363D+02 -0.657191D+00
      3  -0.505257D+00 -0.108631D+01  0.273542D+01 -0.267654D+02 -0.717086D+00
      4  -0.118260D+01  0.154603D+01 -0.759599D+01  0.774030D+00  0.100165D+02
      5   0.379605D+01 -0.851950D+01  0.248593D+01  0.478927D+01  0.161748D+01
      6   0.310003D+00  0.138248D+02 -0.411261D+01  0.847263D+00  0.475905D+00
                21            22            23            24            25 
      1   0.293989D+01 -0.829826D+01  0.395795D+01 -0.503393D+00  0.809402D+01
      2  -0.267093D+01  0.411373D+01 -0.654849D+00  0.861895D+00 -0.725357D+01
      3  -0.268965D+00  0.418453D+01 -0.330310D+01 -0.358502D+00 -0.840457D+00
      4   0.121350D+01  0.115101D+02 -0.161404D+02  0.336078D+01  0.190408D+01
      5   0.169579D+02 -0.325552D+00  0.344337D+01 -0.679741D+00  0.195094D+02
      6   0.131245D+01  0.689959D-01  0.113368D+00  0.418791D+01 -0.138349D+01
                26            27            28            29            30 
      1   0.143616D+01  0.101021D+02  0.644434D+00  0.522961D+01  0.162368D+01
      2  -0.541344D-01 -0.112132D+02  0.166853D+01 -0.565528D+01  0.405402D+01
      3  -0.138202D+01  0.111114D+01 -0.231297D+01  0.425673D+00 -0.567770D+01
      4   0.363028D+01 -0.500296D+00 -0.320200D+01 -0.271392D+01  0.127387D+00
      5   0.126455D+01  0.746036D+01 -0.114083D+01  0.185720D+01  0.581416D+00
      6   0.371461D+01 -0.263940D+00 -0.124781D+01  0.161709D+01 -0.351877D+01
                31            32            33            34            35 
      1   0.852981D+00 -0.575207D+00  0.391033D+01  0.269651D+01  0.246982D+01
      2   0.761416D+00 -0.218913D+01  0.329855D+01  0.332774D+01 -0.726767D+00
      3  -0.161440D+01  0.276433D+01 -0.720889D+01 -0.602425D+01 -0.174305D+01
      4  -0.914617D+01 -0.861830D+01  0.241166D+01 -0.161905D+01  0.321337D+01
      5   0.132969D+01  0.153378D+01 -0.365735D+01  0.177010D+01  0.184872D+01
      6   0.198096D+01  0.190321D+01 -0.459504D+01  0.329946D+01  0.111193D+01
                36            37            38            39            40 
      1   0.868776D+01  0.180734D+01 -0.638813D+01  0.276245D+01  0.377856D+00
      2   0.800832D+01 -0.135662D+01  0.461818D+01  0.212110D+01 -0.267397D+01
      3  -0.166961D+02 -0.450720D+00  0.176995D+01 -0.488356D+01  0.229612D+01
      4   0.510465D+01  0.104583D+01 -0.314534D+01 -0.376204D+00 -0.821867D+01
      5   0.854078D+00 -0.115460D+00 -0.133334D+01 -0.188166D+00 -0.100276D+01
      6  -0.108068D+01  0.106249D+01  0.572682D+00  0.436621D+01  0.325906D+01
                41            42            43            44            45 
      1  -0.273966D-01 -0.367742D+01  0.530248D+01 -0.307454D+01  0.886718D+01
      2  -0.314921D+01 -0.326171D+01  0.243281D+01 -0.108858D+01  0.667001D+01
      3   0.317660D+01  0.693913D+01 -0.773529D+01  0.416313D+01 -0.155372D+02
      4   0.234923D+01  0.280316D+01 -0.187406D+00  0.201988D+01 -0.595416D+01
      5   0.440327D+00  0.358261D+01  0.126372D+01 -0.234761D+01  0.760920D+00
      6  -0.209727D+01 -0.465741D+01 -0.329607D+01  0.163519D+01  0.802325D+00
                46            47            48            49            50 
      1  -0.474169D+02  0.305895D+01 -0.330781D+01  0.205821D+02  0.159288D+02
      2   0.310113D+02  0.183394D+01  0.534912D+01 -0.130246D+02 -0.194267D+02
      3   0.164055D+02 -0.489289D+01 -0.204131D+01 -0.755752D+01  0.349787D+01
      4   0.836296D+01 -0.119841D+02  0.221111D+00  0.360666D+01  0.273157D+01
      5  -0.600772D+01  0.129870D+01 -0.131780D+02  0.338983D+01  0.133613D+01
      6   0.300359D+00 -0.341240D+00  0.463243D+01  0.188461D+01 -0.237789D+00
                51            52            53            54            55 
      1   0.429986D+01 -0.115052D+02  0.482043D+01 -0.713517D+01  0.972453D+02
      2  -0.142709D+01  0.861567D+01 -0.238366D+01 -0.223263D+01 -0.584678D+02
      3  -0.287277D+01  0.288956D+01 -0.243677D+01  0.936781D+01 -0.387775D+02
      4   0.118036D+01  0.205046D+01 -0.386312D+01  0.256952D+01 -0.510879D+01
      5   0.632814D+01  0.110737D+01  0.114816D+01 -0.716044D+01  0.932332D+01
      6  -0.776313D+01  0.733537D-02  0.260062D+01 -0.227280D+01 -0.106002D+01
                56            57            58            59            60 
      1  -0.929673D+01  0.564986D+01 -0.125454D+02  0.793236D+01 -0.180966D+01
      2   0.650676D+01 -0.546799D+01  0.900004D+01 -0.105814D+01  0.143340D+01
      3   0.278996D+01 -0.181872D+00  0.354539D+01 -0.687422D+01  0.376261D+00
      4   0.247479D+02 -0.469050D+00  0.183861D+02 -0.766799D+01  0.226511D+01
      5  -0.135919D+01  0.239923D+02 -0.228133D+01  0.223074D+01 -0.527339D+01
      6   0.141044D+01 -0.152665D+01  0.107946D+01  0.850427D-02  0.564414D+01
                61            62            63            64            65 
      1   0.101252D+02 -0.243281D+01  0.148652D+02  0.138645D+02 -0.100912D+02
      2  -0.938666D+01  0.153660D+01 -0.146066D+02 -0.641271D+01  0.176819D+02
      3  -0.738507D+00  0.896209D+00 -0.258604D+00 -0.745180D+01 -0.759075D+01
      4  -0.264296D+01  0.495844D+01 -0.159048D+01  0.165090D+02  0.150265D+02
      5   0.254785D+02 -0.312091D+01  0.117091D+02 -0.267807D+01 -0.157667D+01
      6   0.165441D+01  0.428649D+01  0.298912D+00 -0.326222D+01 -0.374481D+01
                66            67            68            69            70 
      1   0.572461D+00 -0.575285D+01 -0.215238D+01  0.122508D+01 -0.586874D+00
      2  -0.114484D+01  0.893567D+01  0.841318D+01 -0.341725D+01  0.157480D+01
      3   0.572378D+00 -0.318282D+01 -0.626079D+01  0.219216D+01 -0.987926D+00
      4  -0.314570D+01  0.144354D+02  0.189304D+02 -0.217425D+01 -0.170488D+01
      5   0.738603D+01 -0.108753D+01 -0.428533D+01  0.397169D+01  0.548949D+01
      6   0.509317D+01 -0.188357D+01 -0.514803D+01  0.971734D+01  0.352573D+01
                71            72            73            74            75 
      1   0.494526D+01 -0.428848D+01 -0.359065D+01 -0.251597D+01 -0.266033D+01
      2  -0.340215D+01 -0.690219D+00  0.310084D+01  0.206442D+01  0.139357D-01
      3  -0.154311D+01  0.497870D+01  0.489810D+00  0.451546D+00  0.264640D+01
      4  -0.278356D+01  0.467672D+01  0.396723D+01 -0.789091D+00  0.204899D+01
      5   0.305370D+01 -0.342717D+01 -0.227412D+01 -0.548826D-02  0.492355D+01
      6   0.764409D+01 -0.401724D+01  0.332921D+01 -0.101789D+01 -0.117664D+00
                76            77            78            79            80 
      1  -0.206047D+01 -0.184548D+02 -0.211394D+01 -0.190091D+01 -0.555287D+01
      2  -0.556197D+00  0.286955D+02  0.300763D+01  0.129070D+01  0.454340D+01
      3   0.261667D+01 -0.102407D+02 -0.893696D+00  0.610212D+00  0.100947D+01
      4   0.131776D+02 -0.189415D+02 -0.465445D+01  0.501602D+01 -0.615581D+01
      5   0.189380D+01 -0.389146D+01 -0.538760D+01  0.442156D+01 -0.322628D+01
      6  -0.350808D+01  0.763230D+01  0.121814D+02 -0.171405D+01  0.886373D+01
                81            82            83            84            85 
      1  -0.688660D+01  0.113847D+02  0.383911D+01  0.154180D+01 -0.341481D+01
      2   0.168310D+01 -0.341752D+01 -0.134838D+01 -0.148135D+01  0.328238D+01
      3   0.520350D+01 -0.796718D+01 -0.249073D+01 -0.604483D-01  0.132422D+00
      4  -0.336537D+01  0.201838D+02  0.206144D+02  0.144431D+01  0.802319D+01
      5  -0.406621D+01  0.115653D+01  0.266094D+00  0.695516D+01 -0.930393D+00
      6   0.564401D+01  0.313445D+01 -0.393665D+00  0.211930D+00 -0.205638D+01
                86            87            88            89            90 
      1  -0.249669D+02 -0.203331D+01  0.157721D+01 -0.292200D+01 -0.748828D+01
      2   0.388385D+02  0.129181D+01 -0.159863D+01  0.193270D+01  0.452038D+01
      3  -0.138716D+02  0.741503D+00  0.214210D-01  0.989303D+00  0.296791D+01
      4   0.196008D+02 -0.385910D+00  0.230499D+01  0.201793D+01  0.666289D+01
      5  -0.883304D+00  0.127675D+01  0.428777D+01  0.668771D+01  0.152555D+01
      6   0.108006D+01  0.132247D+02  0.734503D-01  0.121989D+02  0.270654D+01
                91            92            93            94            95 
      1  -0.195020D+01 -0.882483D+00 -0.323567D+01 -0.177654D+01 -0.278588D+01
      2  -0.365691D+01 -0.368319D+00 -0.229198D+01 -0.453161D+00 -0.101066D+01
      3   0.560711D+01  0.125080D+01  0.552765D+01  0.222970D+01  0.379655D+01
      4  -0.100029D+01  0.113777D+01 -0.812008D+00  0.240002D+01 -0.439133D+00
      5   0.171128D+01  0.204696D+00  0.492411D+01  0.408619D+00 -0.251378D+00
      6   0.318452D+00  0.747672D+00 -0.139868D+00  0.771506D+00  0.128876D+01
                96            97            98            99           100 
      1  -0.215341D+01 -0.332327D+01 -0.525629D+00 -0.184061D+02 -0.245009D+01
      2  -0.295796D+01 -0.303403D+01 -0.263618D+01 -0.155331D+02 -0.298248D+01
      3   0.511136D+01  0.635730D+01  0.316181D+01  0.339392D+02  0.543257D+01
      4  -0.994152D+00 -0.395736D+00 -0.273473D+01 -0.128572D+01  0.133506D+01
      5  -0.751339D-01  0.439409D+01 -0.181183D+00 -0.226529D+01  0.164260D+01
      6   0.578652D+01 -0.171421D+00  0.451231D+01 -0.727084D+00 -0.232470D+00
               101           102           103           104           105 
      1   0.137297D+01 -0.344017D+01  0.214233D+01 -0.251117D+01  0.247824D+01
      2   0.172446D+00 -0.196398D+01  0.371190D+00 -0.134341D+01  0.288155D+01
      3  -0.154542D+01  0.540415D+01 -0.251352D+01  0.385459D+01 -0.535979D+01
      4   0.188409D+01  0.813749D+00  0.237032D+01  0.105551D+01 -0.125497D+01
      5  -0.343530D+00  0.503218D+01 -0.581500D+00 -0.848386D-01  0.253739D+00
      6   0.840374D+00 -0.306682D-01  0.848780D+00 -0.160415D+01  0.559976D+01
               106           107           108           109           110 
      1  -0.505298D+01  0.122795D+01 -0.188769D+02 -0.122561D+02  0.390746D+01
      2  -0.263299D+01  0.302707D+01 -0.142901D+02  0.612974D+01 -0.501138D+01
      3   0.768597D+01 -0.425501D+01  0.331670D+02  0.612639D+01  0.110392D+01
      4   0.822633D+00 -0.240683D+01  0.201188D+01 -0.163451D+02 -0.127098D+02
      5   0.419927D+01  0.109009D+00 -0.199546D+01 -0.106754D+01  0.902971D-01
      6   0.629433D+00  0.448598D+01  0.809820D+00 -0.255301D+01 -0.552060D+00
               111           112           113           114           115 
      1  -0.267974D-01  0.194644D+01 -0.639834D+01  0.726313D-01 -0.114933D+01
      2   0.755480D-01 -0.177674D+01  0.871088D+01 -0.200510D+00  0.580880D+00
      3  -0.487506D-01 -0.169692D+00 -0.231254D+01  0.127878D+00  0.568448D+00
      4  -0.973847D+00  0.106178D+01  0.191269D+01  0.119786D+00 -0.217850D+01
      5  -0.513435D+01  0.106546D+00 -0.294593D+00  0.625854D+00  0.263824D+00
      6  -0.140431D+01  0.989671D-01 -0.149598D+00  0.188616D+01 -0.353174D+00
               116           117           118           119           120 
      1   0.580329D+00 -0.249471D+01  0.780039D+01  0.661251D+01 -0.502298D+00
      2  -0.846258D+00  0.962332D+00 -0.290305D+01 -0.267469D+01  0.795998D+00
      3   0.265929D+00  0.153238D+01 -0.489734D+01 -0.393781D+01 -0.293700D+00
      4  -0.147732D+01  0.273122D+00  0.770235D+01  0.555589D+01 -0.253114D-01
      5   0.667399D+00 -0.363663D+00 -0.863071D+00  0.924528D-01  0.206988D+01
      6   0.285816D+01 -0.394357D+00 -0.349871D+00  0.237895D+00  0.116969D+01
               121           122           123           124           125 
      1   0.211443D+02  0.399829D+01  0.174054D+01 -0.286421D+01 -0.101541D+00
      2  -0.116703D+02 -0.606734D+00 -0.185598D+01  0.178273D+01 -0.414431D-01
      3  -0.947404D+01 -0.339156D+01  0.115438D+00  0.108148D+01  0.142984D+00
      4   0.857818D+01  0.233552D+02 -0.998289D+00  0.250662D+00 -0.170511D+01
      5   0.228039D+01 -0.139898D+01  0.514626D+01  0.401654D+01  0.301477D+01
      6   0.135850D+01  0.927447D+00  0.343975D+00  0.761041D+00  0.174460D+01
               126           127           128           129           130 
      1   0.137764D+01 -0.505769D+01  0.851543D+01 -0.116888D+01  0.613915D+01
      2  -0.135729D+01  0.440912D+01 -0.118173D+02 -0.310061D+00 -0.562760D+01
      3  -0.203468D-01  0.648568D+00  0.330186D+01  0.147894D+01 -0.511552D+00
      4   0.312971D+01 -0.580798D+01 -0.990950D+00  0.154214D+01  0.476591D+01
      5  -0.158623D+00  0.121409D+01 -0.701085D+00 -0.139775D+01 -0.111708D+01
      6   0.541174D+00  0.159212D+01  0.254015D+01 -0.187215D+01 -0.733530D+00
               131           132           133           134           135 
      1  -0.180096D+02  0.275120D+00  0.224402D+01 -0.195510D+01 -0.279572D+01
      2   0.270762D+02  0.659029D+00 -0.133450D+01  0.308501D+01  0.292613D+01
      3  -0.906656D+01 -0.934149D+00 -0.909520D+00 -0.112992D+01 -0.130415D+00
      4   0.447523D+01 -0.840737D+00  0.138562D+01  0.158784D+01  0.782030D-01
      5   0.600894D+00  0.184101D+01  0.951955D+00  0.681176D+00  0.131943D+01
      6  -0.196878D+01  0.457171D+01 -0.391453D+00  0.451900D+01  0.849133D-01
               136           137           138           139           140 
      1   0.139657D+02  0.253064D+01  0.282897D+01 -0.408069D+01  0.354675D+01
      2  -0.436757D+01 -0.816959D+01 -0.271055D+00  0.337416D+00 -0.654449D+00
      3  -0.959812D+01  0.563895D+01 -0.255791D+01  0.374327D+01 -0.289230D+01
      4  -0.177825D+02  0.151403D+02 -0.220466D+00  0.590361D+01 -0.383050D+01
      5  -0.734609D+00  0.184350D+01  0.320035D+01 -0.596480D+00  0.120624D+01
      6  -0.130963D+01 -0.173731D+01 -0.486398D+01  0.137047D+00 -0.109517D+01
               141           142           143           144 
      1   0.335217D+00  0.140249D+01  0.296232D+01  0.122703D+01
      2  -0.258347D+00 -0.391376D+00 -0.409784D+01 -0.124617D+01
      3  -0.768701D-01 -0.101112D+01  0.113552D+01  0.191343D-01
      4   0.128185D+01 -0.435864D+01  0.395452D+01 -0.319771D+01
      5  -0.169298D+01  0.369386D+01 -0.214096D+01  0.796150D+00
      6   0.882897D+00 -0.225872D+01  0.240681D+01 -0.212942D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.793648D+00      0.201725D+01      0.672883D+01
   y          0.105583D+01      0.268365D+01      0.895170D+01
   z         -0.116624D-01     -0.296428D-01     -0.988779D-01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.808764D+02      0.119846D+02      0.133347D+02
   yx         0.114689D-01      0.169951D-02      0.189096D-02
   yy         0.721132D+02      0.106861D+02      0.118899D+02
   zx         0.228734D+01      0.338950D+00      0.377132D+00
   zy        -0.423095D+00     -0.626962D-01     -0.697589D-01
   zz         0.478162D+02      0.708562D+01      0.788382D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.732628D+02      0.108564D+02      0.120794D+02
   aniso      0.307415D+02      0.455543D+01      0.506860D+01
   xx         0.876191D+02      0.129838D+02      0.144464D+02
   yx         0.404474D-01      0.599368D-02      0.666887D-02
   yy         0.784964D+02      0.116320D+02      0.129423D+02
   zx         0.247819D+01      0.367230D+00      0.408598D+00
   zy        -0.490228D+00     -0.726443D-01     -0.808276D-01
   zz         0.536728D+02      0.795349D+01      0.884945D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.48815649         -1.85396287          0.89216674
     8          2.95920301         -2.55521649         -1.23745182
     8          3.34293092         -3.05261297          2.90597208
     6          0.83814839          0.44583491          1.41492448
     6         -1.73062208          0.20630954          0.00596100
     6         -1.60335814          1.25212253         -2.70290523
     8         -3.04286996          2.91322072         -3.31187013
     8          0.45760161          0.63298813          4.04597858
     8         -3.55445576          1.56904693          1.36877920
     8          0.09045969          0.27990378         -4.24778223
     1          1.85692557          2.11313757          0.72126523
     1         -2.28252787         -1.78795564         -0.07485028
     1          1.21976619         -0.93469712         -3.36241776
     1          2.63364914         -2.21202011          4.39122487
     1         -1.19586185          1.39344146          4.28667708
     1         -4.20885744          2.82763477          0.18821163

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.132091D+01      0.335741D+01      0.111991D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.648832D+02      0.961469D+01      0.106978D+02
   yx        -0.149333D+02     -0.221289D+01     -0.246217D+01
   yy         0.606550D+02      0.898815D+01      0.100007D+02
   zx         0.258395D+01      0.382902D+00      0.426036D+00
   zy        -0.354179D+01     -0.524839D+00     -0.583962D+00
   zz         0.752676D+02      0.111535D+02      0.124099D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.732628D+02      0.108564D+02      0.120794D+02
   aniso      0.307415D+02      0.455543D+01      0.506860D+01
   xx         0.710188D+02      0.105239D+02      0.117094D+02
   yx        -0.153367D+02     -0.227266D+01     -0.252868D+01
   yy         0.669622D+02      0.992277D+01      0.110406D+02
   zx         0.268673D+01      0.398133D+00      0.442982D+00
   zy        -0.370291D+01     -0.548715D+00     -0.610528D+00
   zz         0.818073D+02      0.121226D+02      0.134882D+02

 ----------------------------------------------------------------------
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 A leading authority is anyone who has guessed right more than once.
 -- Frank A. Clark
 Job cpu time:       0 days  2 hours 13 minutes 53.6 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 53.0 seconds.
 File lengths (MBytes):  RWF=    235 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:26:59 2021.
